Cyclohexane

Cyclohexane

SCHEMBL9801979

C1CCCCC1.CC(C)(CO)CO.OCCO

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
Ethylene Glycol SCHEMBL9064198 1.00 TSHR (0.33) TSHR
Cyclohexane SCHEMBL5515703 0.93 MEN1 (0.31) TSHR
Ethylene Glycol SCHEMBL5715881 0.89 TSHR (0.42) TSHR
Ethylene Glycol SCHEMBL11263321 0.89 TSHR (0.42) TSHR
Ethylene Glycol SCHEMBL28228857 0.86 TSHR (0.39) TSHR
Ethylene Glycol SCHEMBL10401279 0.83 TSHR (0.36) TSHR
SCHEMBL19621 0.82
SCHEMBL229715 0.82 ALDH1A1 (0.35) TSHR
Bicarbonate SCHEMBL28932698 0.79 FFAR3 (0.33) TSHR
SCHEMBL7650639 0.78 ALDH1A1 (0.33) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3591108-B1 FIBER STRUCTURE AND METHOD FOR PRODUCING SAME TEIJIN FRONTIER CO LTD (JP) 2021-01-20 EP disclosed
WO-2019078134-A1 LAMINATE 帝人フィルムソリューション株式会社 2019-04-25 WO disclosed
EP-0416777-A2 Polymeric foams IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-13 EP disclosed
US-4704409-A Reaction products of polyols with bicyclic amide acetals and their application in polyurethane polymers ASHLAND OIL, INC. (US) 1987-11-03 US disclosed