⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18798896 | 0.86 | — | — | |
| SCHEMBL17229802 | 0.75 | CYP2C19 (0.40) | — | |
| SCHEMBL20033657 | 0.74 | BRS3 (0.33) | — | |
| SCHEMBL17229735 | 0.73 | CYP2C19 (0.38) | — | |
| SCHEMBL19413391 | 0.71 | CYP2C19 (0.34) | — | |
| SCHEMBL20462844 | 0.70 | — | — | |
| SCHEMBL26373378 | 0.68 | GAA (0.40) | — | |
| SCHEMBL17229676 | 0.68 | CYP2C19 (0.46) | — | |
| SCHEMBL17229696 | 0.67 | BRS3 (0.41) | — | |
| SCHEMBL17229674 | 0.65 | CYP2C19 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10421720-B2 | Octahydrocyclopentapyrroles, their preparation and use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2019-09-24 | — | — | US | disclosed |