SCHEMBL2733178

SCHEMBL2733178

CC(C)c1ccc(-c2ccccc2P)c(C(C)C)c1C(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL17993329 0.78 GABRA1 (0.43) GABRA1GABRB2CA12CA1CA2
SCHEMBL28152752 0.76 GABRA1 (0.41) GABRA1GABRB2CA12CA1CA2
SCHEMBL11342 0.75 CA12 (0.36) GABRA1GABRB2CA12CA1CA2
SCHEMBL29367513 0.75 CA12 (0.36) GABRA1GABRB2CA12CA1CA2
SCHEMBL28895101 0.74 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL16594000 0.73 LMNA (0.32) GABRA1GABRB2CA1CA2
SCHEMBL15608644 0.73 CA12 (0.35) GABRA1GABRB2CA12CA1CA2
Ammonia Solution, Strong SCHEMBL28410562 0.73 CA12 (0.35) GABRA1GABRB2CA12CA1CA2
SCHEMBL1292825 0.72 GABRA1 (0.41) GABRA1GABRB2CA1CA2CA9
SCHEMBL11513836 0.72 CA12 (0.38) CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805017-B Preparation method of 2-fluoro-1, 5-hexadiene compound 上海毕得医药科技股份有限公司 2023-10-10 CN claimed
CN-115298160-A Pd-catalyzed amination of fluorinated aryl chlorides 巴斯夫欧洲公司 2022-11-04 CN claimed
CN-114805017-A Preparation method of 2-fluoro-1, 5-hexadiene compound 上海毕得医药科技股份有限公司 2022-07-29 CN claimed
CN-111212647-A Dihydroxadiazinones 拜耳股份有限公司 2020-05-29 CN claimed
CN-112055711-B Cyclohexylic acid triazolazine as LPA antagonist 百时美施贵宝公司 2024-07-23 CN disclosed
CN-118355021-A Cyclic biaryl phosphines as ligands for palladium-containing catalysts in cross-coupling reactions 贺利氏贵金属有限两合公司 2024-07-16 CN disclosed
CN-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 CN disclosed
CN-115335369-B GEM-disubstituted piperidine melanocortin subtype-2 receptor (MC 2R) antagonists and uses thereof 克林提克斯医药股份有限公司 2024-07-02 CN disclosed
CN-118215659-A Process for producing a solid-state image sensor 组装生物科学股份有限公司 2024-06-18 CN disclosed
CN-111212647-B Dihydro oxadiazinones 拜耳股份有限公司 2024-05-14 CN disclosed
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
CN-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 CN disclosed
CN-112040951-A Antibody Drug Conjugates (ADC) with NAMPT inhibitors 拜耳股份公司 2020-12-04 CN disclosed
CN-111868063-A PI4KIII beta inhibitors 葛兰素史克知识产权开发有限公司 2020-10-30 CN disclosed
CN-111818916-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2020-10-23 CN disclosed
CN-111818917-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2020-10-23 CN disclosed
CN-111615514-A Substituted pyrazolo [4,3-C ] pyridine compounds as RET kinase inhibitors 奥瑞生物药品公司 2020-09-01 CN disclosed
CN-111212647-A Dihydroxadiazinones 拜耳股份有限公司 2020-05-29 CN disclosed
CN-106986872-B Bromodomain inhibitors 艾伯维公司 2020-04-21 CN disclosed
WO-2012056919-A1 SPIRO[CYCLOPENTA[def]TRIPHENYLENE-4,9'-FLUORENE] COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-05-03 WO disclosed