SCHEMBL9750838

SCHEMBL9750838

CCC(C)(C)OCC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C19 P33261 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
SCHEMBL4546723 0.81 TSHR (0.45) TSHRTDP1ALDH1A1
SCHEMBL16596099 0.79 TSHR (0.43) TSHRTDP1ALDH1A1
SCHEMBL6673656 0.79 TSHR (0.43) TSHRTDP1ALDH1A1
SCHEMBL27895926 0.77 TSHR (0.41) TSHRTDP1ALDH1A1
SCHEMBL21587465 0.77 TSHR (0.41) TSHRTDP1ALDH1A1
SCHEMBL21276482 0.77 TSHR (0.41) TSHRTDP1ALDH1A1
SCHEMBL12240844 0.77 TSHR (0.41) TSHRTDP1ALDH1A1
SCHEMBL16978951 0.76 TSHR (0.36) TSHRTDP1ALDH1A1
SCHEMBL26719885 0.75 CYP2C19 (0.33) CYP2C19
SCHEMBL19389597 0.75 ALDH1A1 (0.39) TSHRTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284005-B1 METHOD OF PRODUCTION OF POLYOLEFINS IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1991-12-18 EP disclosed
US-4981930-A POLYMERIZATION CATALYSTS IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) 1991-01-01 US disclosed
EP-0284005-A2 Method of production of polyolefins IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-09-28 EP disclosed