⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29126999 | 0.69 | SLC22A6 (0.55) | — | |
| SCHEMBL29192730 | 0.67 | MEN1 (0.46) | — | |
| SCHEMBL9577852 | 0.67 | CES2 (0.56) | — | |
| SCHEMBL14167302 | 0.65 | CES2 (0.58) | — | |
| SCHEMBL1311255 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL7070853 | 0.65 | — | — | |
| SCHEMBL28993110 | 0.65 | — | — | |
| SCHEMBL29054463 | 0.65 | — | — | |
| SCHEMBL1728130 | 0.63 | — | — | |
| SCHEMBL10716872 | 0.61 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0823896-B1 | SUBSTITUTED OXIMES, HYDRAZONES AND OLEFINS AS NEUROKININ ANTAGONISTS | SCHERING CORP (US) | 2001-07-11 | — | — | EP | disclosed |
| US-5840725-A | Substituted oximes, hydrazones and olefins as neurokinin antagonists | SCHERING CORPORATION (US) | 1998-11-24 | — | — | US | disclosed |
| EP-0823896-A1 | SUBSTITUTED OXIMES, HYDRAZONES AND OLEFINS AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1998-02-18 | — | — | EP | disclosed |
| US-5696267-A | ANTIHISTAMINES; ANTIINFLAMMATORY AGENTS; GASTROINTESTINAL DISORDERS | SCHERING CORPORATION (US) | 1997-12-09 | — | — | US | disclosed |
| WO-1996034857-A1 | SUBSTITUTED OXIMES, HYDRAZONES AND OLEFINS AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1996-11-07 | — | — | WO | disclosed |