SCHEMBL230060

SCHEMBL230060

COc1c[c]ccc1Br

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
SCHEMBL190634 0.82
SCHEMBL8674 0.78 CA2 (0.46)
SCHEMBL27926417 0.78 PIK3CD (0.32)
SCHEMBL9799440 0.77 HPGD (0.39)
SCHEMBL28251730 0.76 CA2 (0.43)
SCHEMBL2138768 0.76 CA2 (0.43)
SCHEMBL27494520 0.76 CA2 (0.43)
SCHEMBL96297 0.76
SCHEMBL6541679 0.76 CA1 (0.38)
SCHEMBL27638880 0.76 CA2 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US claimed
CN-114478478-B N- (1- (6- (substituted phenyl) pyridazin-3-yl) piperidin-3-yl) amine/amide derivatives and process for preparing the same 厦门大学 2023-06-13 CN claimed
CN-114478478-A N- (1- (6- (substituted phenyl) pyridazine-3-yl) piperidine-3-yl) amine/amide derivative and preparation method thereof 厦门大学 2022-05-13 CN claimed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP claimed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 US claimed
EP-3625222-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP claimed
CN-110612296-A Phenyl derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 CN claimed
CN-110036009-A Substituted pyrrolidines and their use in the treatment of cystic fibrosis 艾伯维公司 2019-07-19 CN claimed
CN-109485667-A A kind of synthetic method of 2- aryl-tetrahydroquinoline -4- boron ester type compound 常州大学 2019-03-19 CN claimed
CN-109153655-A For preventing or treating the novel N- acyl urea derivatives of cardiovascular disease and comprising its composition 高丽大学校产学协力团 2019-01-04 CN claimed
WO-2005026162-A1 GYRASE INHIBITORS PFIZER INC. (US) 2005-03-24 WO claimed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 US claimed
JP-2005506349-A 2005-03-03 JP claimed
CN-1547584-A Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods 2004-11-17 CN claimed
WO-2004093873-A1 2-PHENYL-BENZIMIDAZOL AND 2-PHENYL-IMIDAZO-`4,5!-PYRIDINE DERIVATIVES AS CHECKPOINT KINASE CDS1 (CHK2) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-04 WO claimed
US-20040214857-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA, N.V. (BE) 2004-10-28 US claimed
EP-1435947-A1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-[4,5]-PYRIDINES AS CDS1/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER Ortho-McNeil Pharmaceutical, Inc. (US) 2004-07-14 EP claimed
CN-1491207-A Acylated indanyl amines and their use as pharmaceuticals ������ҽҩ�¹����޹�˾ 2004-04-21 CN claimed
US-20030176438-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHOMCNEIL PHARMACEUTICAL, INC. 2003-09-18 US claimed
WO-2003032984-A1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-[4,5]-PYRIDINES AS CDSI/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER ORTHO-MCNEIL PHARMACEUTICAL,INC. (US) 2003-04-24 WO claimed