SCHEMBL12602

SCHEMBL12602

COc1ccc(C)cn1

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
SCHEMBL30172491 1.00
Acetic Acid SCHEMBL31268438 0.88 NNMT (0.53)
SCHEMBL8737472 0.86 KDM4E (0.50)
SCHEMBL12072506 0.84 CCR1 (0.52)
SCHEMBL22041908 0.84
SCHEMBL3959422 0.84
SCHEMBL30359561 0.84
SCHEMBL12497850 0.82 MKNK1 (0.59)
Morpholine SCHEMBL27899080 0.80 CHRNB2 (0.44)
SCHEMBL8736438 0.79 MEN1 (0.53)

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 1989 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023217764-A1 NOX INHIBITORS FOR USE IN THE TREATMENT OF ALPORT SYNDROME CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2023-11-16 WO claimed
US-20230159522-A1 BCL-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 US claimed
CN-110813201-B Concentrated palladium colloid and preparation method and application thereof 苏州天承化工有限公司 2021-09-28 CN claimed
US-20210177811-A1 USE OF NOX INHIBITORS FOR TREATMENT OF CANCER CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2021-06-17 US claimed
EP-3703747-A1 USE OF NOX INHIBITORS FOR TREATMENT OF CANCER GenKyoTex Suisse SA (CH) 2020-09-09 EP claimed
CN-110878043-B Synthetic method of intermediate 6-methoxypyridine-3-formaldehyde of antihypertensive drugs of dipine class 南京哈柏医药科技有限公司 2020-08-14 CN claimed
CN-110878043-A Simple and convenient 6-methoxypyridine-3-formaldehyde synthesis process 南京哈柏医药科技有限公司 2020-03-13 CN claimed
CN-110813201-A Concentrated palladium colloid and preparation method and application thereof 苏州天承化工有限公司 2020-02-21 CN claimed
EP-3479843-A1 USE OF NOX INHIBITORS FOR TREATMENT OF CANCER GenKyoTex Suisse SA (CH) 2019-05-08 EP claimed
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP claimed
EP-1966141-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-09-10 EP claimed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US claimed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US claimed
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US claimed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
WO-2007079214-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO claimed
WO-2007079163-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO claimed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
WO-2007070816-A2 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed