⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1691768 | 0.93 | NOS1 (0.42) | — | |
| SCHEMBL295542 | 0.93 | NOS1 (0.50) | — | |
| SCHEMBL7634559 | 0.91 | EPHX1 (0.41) | — | |
| SCHEMBL10707537 | 0.91 | EPHX1 (0.41) | — | |
| SCHEMBL5214635 | 0.91 | CYP1A2 (0.50) | — | |
| SCHEMBL1168660 | 0.87 | NOS1 (0.44) | — | |
| SCHEMBL4749333 | 0.86 | — | — | |
| SCHEMBL1547279 | 0.86 | — | — | |
| SCHEMBL7636658 | 0.85 | NOS1 (0.43) | — | |
| SCHEMBL2106032 | 0.85 | NOS1 (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005082892-A2 | TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2005-09-09 | — | — | WO | disclosed |
| EP-0958817-A1 | COMPOSITION CONTAINING DIARYLALKANE DERIVATIVE AS THE ACTIVE INGREDIENT FOR TREATING OR PREVENTING PANCREATITIS | SANKYO COMPANY LIMITED (JP) | 1999-11-24 | — | — | EP | disclosed |
| EP-0844000-A1 | Use of alpha, omega-diarylalkane derivatives in the treatment and prevention of psychosis | SANKYO COMPANY LIMITED (JP) | 1998-05-27 | — | — | EP | disclosed |
| US-5556864-A | TREATMENT OF CIRCULATORY DISEASES AND PSYCHOSIS | SANKYO COMPANY, LIMITED (JP) | 1996-09-17 | — | — | US | disclosed |
| EP-0600717-A1 | Phenoxyalkylamines, -pyrrolidines and -piperidines for the treatment and prevention of circulatory diseases and psychosis | SANKYO COMPANY LIMITED (JP) | 1994-06-08 | — | — | EP | disclosed |
| EP-0115334-B1 | BENZO-HETEROCYCLIC COMPOUNDS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1987-07-22 | — | — | EP | disclosed |
| US-4594347-A | MICROBIOCIDES | OTSUKA PHARMACEUTICAL CO. LIMITED (JP) | 1986-06-10 | — | — | US | disclosed |
| EP-0115334-A1 | Benzo-heterocyclic compounds | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1984-08-08 | — | — | EP | disclosed |