Hexadecane

Hexadecane

SCHEMBL18784651

CCCCCCCCCCCCCCCC.F

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.89
THRB P10828 1/20 0.89
LMNA P02545 3/20 0.60
DNM1 Q05193 6/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HSD17B10 Q99714 1/20 0.57
SLC22A1 O15245 1/20 0.57

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
Dodecane SCHEMBL27534862 1.00 TSHR (0.89) TSHRTHRBLMNADNM1ALDH1A1
Fluoride SCHEMBL27634219 1.00 TSHR (0.89) TSHRTHRBLMNADNM1ALDH1A1
Tetradecane SCHEMBL28298788 1.00 TSHR (0.89) TSHRTHRBLMNADNM1ALDH1A1
Dodecane SCHEMBL28640565 1.00 TSHR (0.89) TSHRTHRBLMNADNM1ALDH1A1
Fluoride SCHEMBL28664164 1.00 TSHR (0.89) TSHRTHRBLMNADNM1ALDH1A1
Heptane SCHEMBL30107 1.00
Decane SCHEMBL25391362 1.00 TSHR (0.89) TSHRTHRBLMNADNM1ALDH1A1
Dodecane SCHEMBL29078900 1.00 TSHR (0.89) TSHRTHRBLMNADNM1ALDH1A1
Octane SCHEMBL28508043 1.00 TSHR (0.89) TSHRTHRBLMNADNM1ALDH1A1
Nonane SCHEMBL27653117 1.00 TSHR (0.89) TSHRTHRBLMNADNM1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162801-B1 SALT OF HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES (JP) 2020-07-22 EP disclosed
CN-110114441-A Composition, film, laminate structure, light emitting device and display 住友化学株式会社 2019-08-09 CN disclosed
US-10023554-B2 Halogen-substituted heterocyclic compound salt UBE INDUSTRIES, LTD. (JP) 2018-07-17 US disclosed
CN-107835835-A Fluorinated thermosets with iodine end groups 3M创新有限公司 2018-03-23 CN disclosed
US-20170158663-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND SALT UBE INDUSTRIES, LTD. (JP) 2017-06-08 US disclosed
EP-3162801-A1 SALT OF HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE Industries, Ltd. (JP) 2017-05-03 EP 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 (2 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-20170158663-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND SALT LPAR1, LPAR3, LPAR2 TSHR 84/4885THRB 361/4885LMNA 2758/4885
US-10023554-B2 Halogen-substituted heterocyclic compound salt LPAR1, LPAR2, LPAR3 TSHR 87/4885THRB 348/4885LMNA 2792/4885

“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.