SCHEMBL18614729

SCHEMBL18614729

OOC(c1cccc2ccccc12)(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.43
ACP3 P15309 2/20 0.41
ALDH1A1 P00352 8/20 0.40
HSD17B10 Q99714 6/20 0.40
TDP1 Q9NUW8 4/20 0.40
CYP2A6 P11509 3/20 0.40
TSHR P16473 3/20 0.40
HPGD P15428 6/20 0.38
CYP3A4 P08684 2/20 0.38
KEAP1 Q14145 1/20 0.38
KDM4E B2RXH2 6/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 3/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38

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
SCHEMBL3389397 0.88 HSD17B10 (0.42) CYP1A2ACP3ALDH1A1HSD17B10TDP1
SCHEMBL9015724 0.79 ALDH1A1 (0.47) CYP1A2ACP3ALDH1A1HSD17B10TDP1
SCHEMBL15067726 0.78 ALDH1A1 (0.40) CYP1A2ACP3ALDH1A1HSD17B10TDP1
SCHEMBL6933228 0.78 CYP1A2 (0.39) CYP1A2ACP3ALDH1A1HSD17B10TDP1
SCHEMBL431857 0.75 HSD17B10 (0.41) CYP1A2ACP3ALDH1A1HSD17B10TDP1
SCHEMBL1561798 0.75 CYP1A2 (0.48) CYP1A2ACP3ALDH1A1HSD17B10TDP1
SCHEMBL11786019 0.75 CYP1A2 (0.48) CYP1A2ACP3ALDH1A1HSD17B10TDP1
SCHEMBL29167170 0.75 CYP1A2 (0.48) CYP1A2ACP3ALDH1A1HSD17B10TDP1
SCHEMBL29503952 0.75 CYP1A2 (0.48) CYP1A2ACP3ALDH1A1HSD17B10TDP1
SCHEMBL27511411 0.74 ALDH1A1 (0.50) CYP1A2ACP3ALDH1A1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087340-A1 POLYMERIZABLE COMPOSITIONS, POLYMERIZED COMPOSITIONS, AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES CO (US) 2021-03-25 US disclosed
US-10889687-B2 Polymerizable compositions, polymerized compositions, and methods of making and using the same 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-01-12 US disclosed
CN-108026276-B Polymerizable compositions, polymeric compositions, and methods of making and using the same 3M创新有限公司 2020-11-03 CN disclosed
EP-3347406-B1 POLYMERIZABLE COMPOSITIONS, POLYMERIZED COMPOSITIONS, AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES CO (US) 2019-07-03 EP disclosed
US-20180237590-A1 Polymerizable Compositions, Polymerized Compositions, and Methods of Making and Using the Same 3M INNOVATIVE PROPERTIES COMPANY 2018-08-23 US disclosed
EP-3347406-A1 POLYMERIZABLE COMPOSITIONS, POLYMERIZED COMPOSITIONS, AND METHODS OF MAKING AND USING THE SAME 3M Innovative Properties Company (US) 2018-07-18 EP disclosed
WO-2017044704-A1 POLYMERIZABLE COMPOSITIONS, POLYMERIZED COMPOSITIONS, AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-03-16 WO disclosed