⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21385784 | 0.86 | — | — | |
| SCHEMBL20033657 | 0.85 | BRS3 (0.33) | — | |
| SCHEMBL19413391 | 0.85 | CYP2C19 (0.34) | — | |
| SCHEMBL20462844 | 0.82 | — | — | |
| SCHEMBL17229802 | 0.79 | CYP2C19 (0.40) | — | |
| SCHEMBL17229735 | 0.76 | CYP2C19 (0.38) | — | |
| SCHEMBL17229676 | 0.71 | CYP2C19 (0.46) | — | |
| SCHEMBL18798832 | 0.70 | RBP4 (0.30) | — | |
| SCHEMBL18798830 | 0.69 | RBP4 (0.32) | — | |
| SCHEMBL19831705 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11649240-B2 | Substituted 4-phenylpiperidines, their preparation and use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2023-05-16 | — | — | US | disclosed |
| US-20210214360-A1 | SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2021-07-15 | — | — | US | disclosed |
| US-9944644-B2 | Octahydropyrrolopyrroles their preparation and use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-04-17 | — | — | US | disclosed |
| US-20180030060-A1 | SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-02-01 | — | — | US | disclosed |
| US-9637450-B2 | Octahydrocyclopentapyrroles, their preparation and use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2017-05-02 | — | — | US | disclosed |