Hexane

Hexane

SCHEMBL420466

CCCCCC.ClCCCl

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.71
ALDH1A1 P00352 4/20 0.71
TDP1 Q9NUW8 1/20 0.69
THRB P10828 1/20 0.58
LMNA P02545 3/20 0.50
SLC22A1 O15245 3/20 0.44
SLC22A2 O15244 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DNM1 Q05193 5/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hexane SCHEMBL9660285 1.00 TSHR (0.71) TSHRALDH1A1TDP1THRBLMNA
Heptane SCHEMBL9531613 0.96 TSHR (0.79) TSHRALDH1A1TDP1THRBLMNA
Tetradecane SCHEMBL28244850 0.96 TSHR (0.79) TSHRALDH1A1TDP1THRBLMNA
1,2-Dichloroethane SCHEMBL28113335 0.92 TSHR (0.86) TSHRALDH1A1TDP1THRBLMNA
Pentane SCHEMBL7087547 0.91
Hexane SCHEMBL1233732 0.89 TSHR (0.59) TSHRALDH1A1TDP1THRBLMNA
SCHEMBL276808 0.87
Hexane SCHEMBL8845002 0.87 TSHR (0.92) TSHRALDH1A1TDP1THRBLMNA
SCHEMBL9285670 0.87 TSHR (0.92) TSHRALDH1A1TDP1THRBLMNA
Hexane SCHEMBL8668030 0.87 TSHR (0.79) TSHRALDH1A1TDP1THRBLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 142 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093347-B Hapten for detecting cypermethrin content and application thereof 云南省烟草质量监督检测站 2023-09-12 CN claimed
CN-115093347-A Hapten for detecting cypermethrin content and application thereof 云南省烟草质量监督检测站 2022-09-23 CN claimed
EP-1716145-B1 DIHYDROTETRABENAZINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CAMBRIDGE LAB IRELAND LTD (IE) 2008-08-27 EP claimed
CN-115093347-B Hapten for detecting cypermethrin content and application thereof 云南省烟草质量监督检测站 2023-09-12 CN disclosed
CN-115093347-A Hapten for detecting cypermethrin content and application thereof 云南省烟草质量监督检测站 2022-09-23 CN disclosed
EP-3214086-B1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND UBE INDUSTRIES (JP) 2021-09-22 EP disclosed
US-10968238-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2021-04-06 US disclosed
CN-111303051-A Method for preparing 5- (3, 6-dihydro-2, 6-dioxo-4-trifluoromethyl-1 (2H) -pyrimidyl) thiophenol 东部福阿母韩农株式会社 2020-06-19 CN disclosed
US-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 US disclosed
US-10131679-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2018-11-20 US disclosed
US-10007183-B2 Compound for forming organic film, and organic film composition using the same, process for forming organic film, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-06-26 US disclosed
US-4447360-A Intermediates for thia-aza compounds with a β-lactam ring CIBA-GEIGY CORPORATION (US) 1984-05-08 US disclosed
US-4436661-A INTERMEDIATES FOR PENICILLIN ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1984-03-13 US disclosed
US-4420630-A BINDERS FOR PHOTOGRAPHY EASTMAN KODAK COMPANY (US) 1983-12-13 US disclosed
US-4331676-A 2-PENEM COMPOUNDS UNSUBSTITUTED IN THE 6 POSITION CIBA-GEIGY CORPORATION (US) 1982-05-25 US disclosed
US-4259469-A DESIRABLE SOLUBILITY CHARACTERISTICS FOR USE IN PHOTOLITHOGRAPHY EASTMAN KODAK COMPANY (US) 1981-03-31 US disclosed
US-4083863-A PESTICIDES AMERICAN CYANAMID CORPORATION (US) 1978-04-11 US disclosed
US-4027029-A Diazepine derivatives CIBA-GEIGY CORPORATION (US) 1977-05-31 US disclosed
US-4009208-A N,N'-HEPTAMETHYLENEBIS(4-METHOXYBENZAMIDE) STERLING DRUG INC. (US) 1977-02-22 US disclosed
US-3960945-A 4-[-(Alkoxy or polyhaloalkoxy)-benzamido]cyclohexanones STERLING DRUG INC. (US) 1976-06-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids DNPEP, PRKCSH, BCAT1 TSHR 3486/4885ALDH1A1 3234/4885TDP1 1943/4885
US-10007183-B2 Compound for forming organic film, and organic film composition using the same, process for forming organic film, and patterning process OR10J3, RER1, OLA1 TSHR 4347/4885ALDH1A1 1407/4885TDP1 3714/4885
US-10131679-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, DCLK3 TSHR 2798/4885ALDH1A1 246/4885TDP1 2475/4885
US-10968238-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, KCNJ11 TSHR 2880/4885ALDH1A1 190/4885TDP1 2120/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.