SCHEMBL28350486

SCHEMBL28350486

[CH]1NCC2C=CC=CC12

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL4543148 0.77
SCHEMBL29017589 0.75
SCHEMBL21181266 0.64
SCHEMBL14740931 0.62
SCHEMBL17847691 0.62
SCHEMBL4033993 0.60
SCHEMBL21295151 0.60
SCHEMBL3767412 0.57
SCHEMBL9715235 0.57
SCHEMBL25429315 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073424-A Histone deacetylase inhibitor and application thereof 微境生物医药科技(上海)有限公司 2022-09-20 CN disclosed
CN-114667143-A Composition for preventing or inhibiting axonal degeneration 将军治疗有限公司 2022-06-24 CN disclosed
CN-106478564-B Cathepsin K inhibitors and uses thereof 广东东阳光药业有限公司 2021-11-12 CN disclosed
CN-113412112-A Organophosphorus substituted compounds as c-MET inhibitors and therapeutic uses thereof 贝达医药公司 2021-09-17 CN disclosed
CN-113121393-A Aromatic amide compound and application thereof in medicines 广东东阳光药业有限公司 2021-07-16 CN disclosed
CN-113121463-A Amide compound with bicyclic structure and application thereof in medicines 广东东阳光药业有限公司 2021-07-16 CN disclosed
CN-108779104-B Novel compounds for inhibiting nicotinamide phosphoribosyltransferase and compositions containing same 将军治疗有限公司 2021-04-13 CN disclosed
CN-111788193-A PD-1/PD-L1 small molecule inhibitor and application thereof in medicines 广东东阳光药业有限公司 2020-10-16 CN disclosed
CN-105524053-B Tetrahydrobenzothiophene compounds 广东东阳光药业有限公司 2020-06-05 CN disclosed
CN-105461709-B Substituted urea derivatives and their use in medicine 广东东阳光药业有限公司 2020-01-21 CN disclosed