SCHEMBL394669

SCHEMBL394669

CC(C)(C)c1ccccc1C[O]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
CA2 P00918 1/20 0.41
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
KIF11 P52732 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ATM Q13315 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
RBP4 P02753 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL1521882 0.83 GABRA1 (0.48) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL9971019 0.81 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL5435016 0.80 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL9838551 0.80 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2GABRA1
Hydrogen Peroxide SCHEMBL11570368 0.79 GABRA1 (0.50) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL13032299 0.78 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL29747171 0.78 ALDH1A1 (0.52) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL5365995 0.78 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL358963 0.78 ALDH1A1 (0.52) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL24246243 0.77 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCA2GABRA1

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 378 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110156698-A The preparation method and purposes of 2- phenyl -1,6- dihydro-pyrimidin -5- formic acid derivates 沈阳海诺威医药科技有限公司 2019-08-23 CN claimed
EP-3466934-B1 SULFONAMIDE COMPOUNDS OR SALT THEREOF AS RIBONUCLEOTIDE REDUCTASE INHIBITORS FOR TREATING CANCER TAIHO PHARMACEUTICAL CO LTD (JP) 2024-03-27 EP disclosed
CN-111315828-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-09-29 CN disclosed
CN-112154167-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-08-22 CN disclosed
US-11643533-B2 Film, method of producing film, and bag SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-05-09 US disclosed
WO-2022249992-A1 PRODUCTION METHOD FOR BIPYRIDINE DERIVATIVE, PRODUCTION METHOD FOR MACROCYCLIC COMPOUND, PRODUCTION METHOD FOR METAL COMPLEX INCLUDING MACROCYCLIC COMPOUND AS LIGAND, METAL COMPLEX, ELECTRODE FOR AIR BATTERY, AND AIR BATTERY 住友化学株式会社 2022-12-01 WO disclosed
CN-110352213-B Film 住友化学株式会社 2022-09-09 CN disclosed
US-11149102-B2 Film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-10-19 US disclosed
US-20210284829-A1 FILM, METHOD OF PRODUCING FILM, AND BAG SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-09-16 US disclosed
EP-3878896-A1 FILM, METHOD OF PRODUCING FILM, AND BAG SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2021-09-15 EP disclosed
EP-0970976-A1 Copolymer, process for production thereof, and molded article thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-12 EP disclosed
EP-0963990-A1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-15 EP disclosed
US-5965758-A Method for producing bridged type transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-10-12 US disclosed
EP-0942010-A1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-15 EP disclosed
EP-0908435-A1 Method for purifying transition metal compound and method for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-04-14 EP disclosed
CN-1205340-A Propylene coplymer SUMITOMO CHEMICAL CO (JP) 1999-01-20 CN disclosed
US-5856334-A ANTAGONIST FOR EOSINOPHILS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-01-05 US disclosed
EP-0852230-A1 TRANSITION METAL COMPLEXES, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-07-08 EP disclosed
EP-0842939-A1 TRANSITION METAL COMPLEX, PROCESS FOR THE PREPARATION THEREOF, POLYMERIZATION CATALYST FOR OLEFINS CONTAINING THE COMPLEX, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 EP disclosed
EP-0773219-A1 IMIDAZOQUINOLINE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1997-05-14 EP disclosed