SCHEMBL9750798

SCHEMBL9750798

CCC(CC)(OC(CC)(CC)C(C)(C)C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9750761 0.76 TSHR (0.35) TSHRTDP1ALDH1A1
SCHEMBL12219359 0.76 ALDH1A1 (0.47) TSHRTDP1ALDH1A1
SCHEMBL5002847 0.73 TSHR (0.33) TSHRTDP1ALDH1A1
SCHEMBL27615525 0.71 TSHR (0.32) TSHRTDP1ALDH1A1
SCHEMBL12128688 0.69 TSHR (0.30) TSHRTDP1
SCHEMBL28135429 0.69
SCHEMBL9750735 0.64 TSHR (0.38) TSHRTDP1ALDH1A1
SCHEMBL2923228 0.62 ALDH1A1 (0.47) TSHRTDP1ALDH1A1
SCHEMBL4818426 0.62 TSHR (0.43) TSHRTDP1ALDH1A1
SCHEMBL30636 0.62 TSHR (0.56) 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