SCHEMBL8733344

SCHEMBL8733344

Cc1ccc(O[AlH2])c(C)c1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.33
PTPN1 P18031 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PAX8 Q06710 1/20 0.31

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
SCHEMBL18854378 0.78 NCEH1 (0.35) NCEH1PTPN1CYP1A2CYP2A6TSHR
SCHEMBL28885225 0.77 MAPT (0.50) CYP1A2CYP2A6
SCHEMBL141853 0.76 ACHE (0.44) TSHR
SCHEMBL633713 0.74 NCEH1 (0.33) NCEH1PTPN1CYP1A2CYP2A6TSHR
SCHEMBL29071347 0.74 POLB (0.33) NCEH1PTPN1CYP1A2CYP2A6TSHR
SCHEMBL11376078 0.74 NCEH1 (0.33) NCEH1PTPN1CYP1A2CYP2A6TSHR
Ammonia Solution, Strong SCHEMBL27342870 0.74 ALDH1A1 (0.44) TSHR
SCHEMBL6722517 0.74 NCEH1 (0.33) NCEH1PTPN1CYP1A2CYP2A6TSHR
Hydrochloric Acid SCHEMBL9739649 0.74 ACHE (0.42) TSHR
SCHEMBL5029973 0.73 NCEH1 (0.31) NCEH1

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-0612764-B1 Process for preparing polyolefins NIPPON OIL CO LTD (JP) 1998-08-12 EP disclosed
US-5432236-A Process for preparing polyolefins NIPPON OIL COMPANY, LIMITED (JP) 1995-07-11 US disclosed
EP-0612764-A1 Process for preparing polyolefins NIPPON OIL CO. LTD. (JP) 1994-08-31 EP disclosed