⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5580423 | 1.00 | — | — | |
| SCHEMBL14901067 | 0.76 | — | — | |
| SCHEMBL19416870 | 0.71 | — | — | |
| SCHEMBL1127389 | 0.70 | HDAC3 (0.40) | — | |
| SCHEMBL11747920 | 0.70 | CES1 (0.36) | — | |
| SCHEMBL13694693 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL11747912 | 0.70 | CES1 (0.36) | — | |
| SCHEMBL14272659 | 0.69 | — | — | |
| SCHEMBL21337470 | 0.66 | — | — | |
| SCHEMBL10460628 | 0.66 | NPSR1 (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7276511-B2 | Benzylamine derivative | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 2007-10-02 | — | — | US | disclosed |
| US-20060194841-A1 | E.g., N-{2-(3,4-dichlorophenyl)-2-[(3,3-diphenylpropionyl)-methylamino]-4-{spiro[benzo(c)thiophene-1(3H),4'-piperidine]-(2S)-oxide}-1'-yl-butyl}-3,3,3-trifluoro-N-methyl-propionamide hydrochloride, NK-1 or NK-2 receptor antagonists; irritable bowel syndrome, pain, anxiety, COPD, headaches and vomiting | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 2006-08-31 | — | — | US | disclosed |
| EP-1650189-A1 | BENZYLAMINE DERIVATIVE | Zeria Pharmaceutical Co., Ltd. (JP) | 2006-04-26 | — | — | EP | disclosed |