⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18798832 | 0.90 | RBP4 (0.30) | — | |
| SCHEMBL19297275 | 0.86 | — | — | |
| SCHEMBL19297236 | 0.79 | — | — | |
| SCHEMBL19831705 | 0.75 | — | — | |
| SCHEMBL20462838 | 0.74 | RBP4 (0.36) | — | |
| SCHEMBL20033617 | 0.74 | — | — | |
| SCHEMBL20033611 | 0.72 | HCAR2 (0.30) | — | |
| SCHEMBL17229723 | 0.69 | RBP4 (0.37) | — | |
| SCHEMBL17229756 | 0.69 | CYP2C19 (0.33) | — | |
| SCHEMBL20952910 | 0.69 | ALDH1A1 (0.48) | — |
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 |