SCHEMBL27465283

SCHEMBL27465283

C=CC(=O)OCCCC=C(C)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.52
ALDH1A1 P00352 6/20 0.52
CYP3A4 P08684 2/20 0.52
HPGD P15428 1/20 0.51
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL28007306 0.90 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL6368769 0.87 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28544460 0.83 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28013262 0.83 TSHR (0.40) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28754452 0.83 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5366050 0.82 TSHR (0.50) TSHRALDH1A1HPGDTHRBCYP2D6
SCHEMBL5025149 0.81 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL27530098 0.80 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21995155 0.80 TSHR (0.41) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8382801 0.79 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106029046-B Dental composition and application thereof 3M创新有限公司 2019-04-05 CN disclosed
CN-108366911-A two-component self-adhesive dental composition, storage-stable initiator system and use thereof 3M创新有限公司 2018-08-03 CN disclosed
CN-104114142-B One-component self-adhesive dental compositions, methods of making and using the same 3M创新有限公司 2016-12-21 CN disclosed
CN-106029046-A Dental composition and use thereof 3M创新有限公司 2016-10-12 CN disclosed
CN-106029044-A Adhesive bonding composition and use thereof 3M创新有限公司 2016-10-12 CN disclosed
CN-104114142-A One-component self-adhesive dental compositions, methods of making and using the same 3M INNOVATIVE PROPERTIES CO 2014-10-22 CN disclosed
CN-1170879-C Fire-retardant resin composition and shaped article made of same ������������ʽ���� 2004-10-13 CN disclosed
CN-1275590-A Fire-retardant resin composition and shaped article made of same TORAY INDUSTRIES (JP) 2000-12-06 CN disclosed