⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL623156 | 0.73 | CA2 (0.39) | — | |
| SCHEMBL350177 | 0.71 | — | — | |
| SCHEMBL193059 | 0.71 | — | — | |
| SCHEMBL351012 | 0.71 | — | — | |
| SCHEMBL192616 | 0.71 | — | — | |
| SCHEMBL16961417 | 0.71 | — | — | |
| SCHEMBL1304450 | 0.71 | — | — | |
| SCHEMBL28267186 | 0.71 | LOXL2 (0.48) | — | |
| SCHEMBL5673544 | 0.67 | CYP2A6 (0.38) | — | |
| SCHEMBL21268190 | 0.67 | CYP2A6 (0.33) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0273401-B1 | ISOINDOLIN-1-ONE DERIVATIVE AND ANTIARRHYTHMIC AGENT | KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) | 1992-11-11 | — | — | EP | claimed |
| EP-0273401-A1 | Isoindolin-1-one derivative and antiarrhythmic agent | KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) | 1988-07-06 | — | — | EP | claimed |
| US-9585392-B2 | 3-phenylisoxazolin derivatives with herbicidal action | BAYER CROPSCIENCE AG (DE) | 2017-03-07 | — | — | US | disclosed |
| US-20150245615-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | BAYER CROPSCIENCE AG (DE) | 2015-09-03 | — | — | US | disclosed |
| CN-101679353-A | A new process for the manufacturing of the compound 2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]1h-indole-5-carbonitrile 701 | ASTRAZENECA AB | 2010-03-24 | — | — | CN | disclosed |
| US-7572813-B2 | Cyclic amide derivative as monocyte chemotactic protein modulator; prevention and treatment of rheumatoid arthritis, multiple sclerosis, atherosclerosis and asthma; antiinflammatory agents; N-[2-[[(cis) -2-[[1- (4-Chlorophenyl)ethyl]amino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-08-11 | — | — | US | disclosed |
| US-20060135502-A1 | Cyclic derivatives as modulators of chemokine receptor activity | CHERNEY ROBERT | 2006-06-22 | — | — | US | disclosed |
| US-7045521-B2 | Cyclic derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2006-05-16 | — | — | US | disclosed |
| US-6706712-B2 | RHEUMATIC DISEASES, MULTIPLE SCLEROSIS, ASTHMA, ANTICHOLESTEROL AGENTS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-03-16 | — | — | US | disclosed |
| US-6005008-A | IL-8 receptor antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 1999-12-21 | — | — | US | disclosed |