SCHEMBL29354548

SCHEMBL29354548

COc1ccccc1[C@H](CBr)OC1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.45
ACACA Q13085 10/20 0.44

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
SCHEMBL18909796 1.00 ACACB (0.45) ACACBACACA
SCHEMBL21980409 1.00 ACACB (0.45) ACACBACACA
SCHEMBL30901794 1.00 ACACB (0.45) ACACBACACA
SCHEMBL18908171 0.87 ACACB (0.44) ACACBACACA
SCHEMBL14945397 0.86 ACACB (0.47) ACACBACACA
SCHEMBL14945398 0.86 ACACB (0.47) ACACBACACA
SCHEMBL21816549 0.86 ACACB (0.47) ACACBACACA
SCHEMBL29642175 0.86 ACACB (0.47) ACACBACACA
SCHEMBL17580347 0.86 ACACB (0.43) ACACBACACA
SCHEMBL17580298 0.86 ACACB (0.43) ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111484504-B Optical isomer of ACC inhibitor and application thereof 南京圣和药业股份有限公司 2024-05-10 CN disclosed
CN-116745299-A Thienopyrimidine derivatives 正大天晴药业集团股份有限公司 2023-09-12 CN disclosed
CN-114599654-B ACC inhibitor and application thereof 南京瑞捷医药科技有限公司 2023-07-04 CN disclosed
CN-116354983-A Phenyl substituted compound, preparation method and application thereof 南京汇诚制药有限公司 2023-06-30 CN disclosed
CN-116354982-A Preparation method of ACC inhibitor 南京汇诚制药有限公司 2023-06-30 CN disclosed
CN-116354984-A Preparation method of phenyl substituted ACC inhibitor and intermediate thereof 南京汇诚制药有限公司 2023-06-30 CN disclosed
CN-110959007-B Compounds as ACC inhibitors and uses thereof 南京圣和药业股份有限公司 2022-07-01 CN disclosed
CN-109305976-B Compounds as ACC inhibitors and uses thereof 南京圣和药业股份有限公司 2022-07-01 CN disclosed
CN-114599654-A ACC inhibitor and application thereof 南京瑞捷医药科技有限公司 2022-06-07 CN disclosed
CN-113967213-A Composition containing phenyl substituted ACC inhibitor and application thereof 南京圣和药业股份有限公司 2022-01-25 CN disclosed
CN-113968872-A Preparation method of phenyl substituted ACC inhibitor 南京圣和药业股份有限公司 2022-01-25 CN disclosed