Hexane

Hexane

SCHEMBL4123692

CCCCCC.CCCC[Sn](Cl)(CCCC)CCCC

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
SLC22A1 O15245 3/20 0.35
SLC22A2 O15244 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DNM1 Q05193 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL14157251 0.97 TSHR (0.40) TSHRTHRBALDH1A1LMNATDP1
SCHEMBL1131 0.97 TSHR (0.40) TSHRTHRBALDH1A1LMNATDP1
SCHEMBL10628008 0.94 TSHR (0.47) TSHRTHRBALDH1A1LMNASLC22A1
SCHEMBL25206988 0.93 TSHR (0.38) TSHRTHRBALDH1A1LMNATDP1
Phosphine SCHEMBL27559693 0.93 TSHR (0.38) TSHRTHRBALDH1A1LMNATDP1
SCHEMBL2465249 0.93 TSHR (0.44) TSHRTHRBALDH1A1LMNATDP1
SCHEMBL8911782 0.93 TSHR (0.38) TSHRTHRBALDH1A1LMNATDP1
SCHEMBL10851813 0.93 TSHR (0.38) TSHRTHRBALDH1A1LMNATDP1
Bromide SCHEMBL28239528 0.93 TSHR (0.38) TSHRTHRBALDH1A1LMNATDP1
SCHEMBL9716517 0.90 TSHR (0.35) TSHRTHRBALDH1A1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112094282-B Indole derivative-EDOT compound and preparation and application thereof 浙江工业大学 2023-06-09 CN claimed
CN-112094282-A Indole derivative-EDOT compound and preparation and application thereof 浙江工业大学 2020-12-18 CN claimed
CN-112079840-A Indole derivative-thiophene compound and preparation and application thereof 浙江工业大学 2020-12-15 CN claimed
CN-112079849-A Indole derivative-proEDOT compound and preparation and application thereof 浙江工业大学 2020-12-15 CN claimed
CN-112210040-B Wide-distribution polybutadiene-isoprene rubber and preparation method thereof 中国石油化工股份有限公司 2024-01-30 CN disclosed
CN-113563685-B Formula sizing material of all-steel truck radial tire and preparation method thereof 中国石油化工股份有限公司 2023-10-13 CN disclosed
CN-112210128-B Tire sidewall rubber material based on gradient block lithium BIR and preparation method thereof 中国石油化工股份有限公司 2023-09-01 CN disclosed
CN-112210127-B High-performance rubber for radial tire tread base and preparation method thereof 中国石油化工股份有限公司 2023-08-01 CN disclosed
CN-112079840-B Indole derivative-thiophene compound and preparation and application thereof 浙江工业大学 2023-06-27 CN disclosed
CN-112079849-B Indole derivative-proEDOT compound and preparation and application thereof 浙江工业大学 2023-06-27 CN disclosed
CN-112210040-A Wide-distribution polybutadiene-isoprene rubber and preparation method thereof 中国石油化工股份有限公司 2021-01-12 CN disclosed
CN-112210128-A Tire sidewall rubber material based on gradient block lithium BIR and preparation method 中国石油化工股份有限公司 2021-01-12 CN disclosed
CN-112210127-A High-performance rubber for radial tire tread base and preparation method thereof 中国石油化工股份有限公司 2021-01-12 CN disclosed
CN-112094282-A Indole derivative-EDOT compound and preparation and application thereof 浙江工业大学 2020-12-18 CN disclosed
CN-112079840-A Indole derivative-thiophene compound and preparation and application thereof 浙江工业大学 2020-12-15 CN disclosed
CN-112079849-A Indole derivative-proEDOT compound and preparation and application thereof 浙江工业大学 2020-12-15 CN disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 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 (1 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR TSHR 1672/4885THRB 1101/4885ALDH1A1 1587/4885

“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.