⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL276729 | 0.73 | — | — | |
| SCHEMBL1979407 | 0.73 | — | — | |
| SCHEMBL188468 | 0.73 | — | — | |
| SCHEMBL434731 | 0.73 | — | — | |
| SCHEMBL5252428 | 0.73 | — | — | |
| SCHEMBL5675963 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL6043975 | 0.71 | — | — | |
| SCHEMBL993023 | 0.71 | — | — | |
| SCHEMBL15745579 | 0.71 | KDM4E (0.39) | — | |
| Hydrochloric Acid SCHEMBL2539237 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0229667-B1 | Peptidylaminodiols | ABBOTT LAB (US) | 1994-07-13 | — | — | EP | claimed |
| US-4845079-A | HYPOTENSIVE, RENIN INHIBITION | ABBOTT LABORATORIES | 1989-07-04 | — | — | US | claimed |
| EP-0229667-A2 | Peptidylaminodiols | ABBOTT LABORATORIES (US) | 1987-07-22 | — | — | EP | claimed |
| 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 |