⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17229783 | 0.78 | CYP2C19 (0.31) | — | |
| SCHEMBL19297183 | 0.67 | — | — | |
| SCHEMBL17229775 | 0.65 | CYP2C19 (0.30) | — | |
| SCHEMBL19831872 | 0.63 | — | — | |
| SCHEMBL19297283 | 0.63 | CYP2C19 (0.42) | — | |
| SCHEMBL19131108 | 0.62 | PARP1 (0.34) | — | |
| SCHEMBL18238800 | 0.62 | PARP1 (0.34) | — | |
| SCHEMBL18798860 | 0.60 | GAA (0.33) | — | |
| SCHEMBL17232740 | 0.60 | ALDH1A1 (0.30) | — | |
| SCHEMBL18238037 | 0.60 | PARP1 (0.33) | — |
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-10787453-B2 | Octahydropyrrolopyrroles their preparation and use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2020-09-29 | — | — | 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-9938291-B2 | N-alkyl-2-phenoxyethanamines, their preparation and use | THE TRUSTESS OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-04-10 | — | — | 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 |