⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20033617 | 0.91 | — | — | |
| SCHEMBL19297275 | 0.90 | — | — | |
| SCHEMBL20695509 | 0.87 | — | — | |
| SCHEMBL18798832 | 0.84 | RBP4 (0.30) | — | |
| SCHEMBL17229764 | 0.80 | RBP4 (0.36) | — | |
| SCHEMBL18798830 | 0.78 | RBP4 (0.32) | — | |
| SCHEMBL17229756 | 0.76 | CYP2C19 (0.33) | — | |
| SCHEMBL21385795 | 0.75 | — | — | |
| SCHEMBL19297236 | 0.73 | — | — | |
| SCHEMBL20462838 | 0.72 | RBP4 (0.36) | — |
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 4 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 |