SCHEMBL3764987

SCHEMBL3764987

c1ccc(O[AlH]Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.50
TSHR P16473 1/20 0.50
CA4 P22748 1/20 0.45
KCNA3 P22001 1/20 0.41
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
NR1H2 P55055 1/20 0.38
BAX Q07812 1/20 0.38
MAOA P21397 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
CA9 Q16790 1/20 0.36
SRC P12931 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX15 P16050 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
SCHEMBL8410812 0.83 LTA4H (0.41) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL23704261 0.78 CA4 (0.39) LTA4HTSHRCA4CA5ACA5B
SCHEMBL5051412 0.75
SCHEMBL222149 0.69
SCHEMBL9114579 0.69
SCHEMBL9860086 0.69
SCHEMBL472775 0.69
SCHEMBL108501 0.69
SCHEMBL2082815 0.67 TSHR (0.50) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL14905 0.67 LTA4H (0.60) LTA4HTSHRCA4KCNA3CA5A

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-116761805-A Novel heterocyclic compound and organic light-emitting device comprising same 韩国深通新材料株式会社 2023-09-15 CN disclosed
CN-115925729-A Organic compound and organic electroluminescent element comprising same 材料科学有限公司 2023-04-07 CN disclosed
US-20100310799-A1 ETHYLENE-a-OLEFIN COPOLYMER AND MOLDED ARTICLE SUMITOMO CHEMICAL COMPANY, LIMITED 2010-12-09 US disclosed
US-4602113-A (Hydrocarbylthio) phenols and their preparation ETHYL CORPORATION (US) 1986-07-22 US disclosed
EP-0072035-B1 PROCESS FOR PRODUCING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-02-19 EP disclosed
US-4483939-A USING COORDINATION CATALYST OF TITANIUM AND/OR VANADIUM COMPOUND, PHENOL, AROMATIC ESTER, ORGANOMAGNESIUM AND ORGANOALUMINUM COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-20 US disclosed
US-4421749-A ANTI-DANDRUFF HOFFMANN-LA ROCHE INC. (US) 1983-12-20 US disclosed
EP-0072035-A2 Process for producing polyolefins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-02-16 EP disclosed