SCHEMBL190634

SCHEMBL190634

COc1cc[c]cc1Br

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
SCHEMBL230060 0.82
SCHEMBL8121451 0.81 POLB (0.41)
SCHEMBL8674 0.78 CA2 (0.46)
SCHEMBL27686647 0.78 PIK3CD (0.32)
SCHEMBL27822839 0.77 GAA (0.31)
SCHEMBL702267 0.77 HPGD (0.39)
SCHEMBL16959112 0.77 HDAC4 (0.32)
SCHEMBL2956325 0.77 L3MBTL1 (0.38)
SCHEMBL27494520 0.76 CA2 (0.43)
SCHEMBL28251730 0.76 CA2 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486836-A Preparation method of 2-aryl-3-carbonyl substituted tetrahydrofuran and tetrahydropyran compound 遵义医科大学 2024-02-02 CN claimed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US claimed
CN-116356354-A Preparation method of 2-aryl-3-sulfonyl substituted tetrahydropyrrole and piperidine compounds 遵义医科大学 2023-06-30 CN claimed
CN-116283906-A Oxindole derivative containing 2-pyridone heterocycle and preparation method and application thereof 中山大学 2023-06-23 CN claimed
CN-111620832-B Multi-substituted oxazoline compound and preparation method thereof 南京工业大学 2022-07-05 CN claimed
EP-3997083-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2022-05-18 EP claimed
CN-113105459-B Triazolopyrimidine derivative and preparation method and application thereof 五邑大学 2022-05-03 CN claimed
CN-114127066-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2022-03-01 CN claimed
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP claimed
CN-113698328-A Substituted 1, 3-dicarbonyl compound and preparation method and application thereof 山东第一医科大学(山东省医学科学院) 2021-11-26 CN claimed
WO-2002024698-A1 XANTHINE PHOSPHODIESTERASE V INHIBITORS SCHERING CORPORATION (US) 2002-03-28 WO claimed
CN-1259948-A 6,7-disubstituted-4-aminopyrido [2,3-D] pyrimidine compounds ABBOTT LAB (US) 2000-07-12 CN claimed
EP-0979230-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-16 EP claimed
WO-1998046603-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO claimed
EP-0438209-B1 Uracil derivatives and pesticides containing the same as active ingredient NISSAN CHEMICAL IND LTD (JP) 1994-09-21 EP claimed
EP-0219756-B1 Acrylic amides SHELL INT RESEARCH (NL) 1994-01-05 EP claimed
US-5116404-A URACIL DERIVATIVES AND PESTICIDES CONTAINING THE SAME AS ACTIVE INGREDIENT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-05-26 US claimed
EP-0438209-A1 Uracil derivatives and pesticides containing the same as active ingredient NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1991-07-24 EP claimed
US-4910200-A Agricultural fungicide CELAMERCK GMBH & CO. KG (DE) 1990-03-20 US claimed
EP-0219756-A1 Acrylic amides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-04-29 EP claimed