⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26935928 | 0.77 | KDM4E (0.31) | — | |
| SCHEMBL26935927 | 0.75 | KDM4E (0.31) | — | |
| SCHEMBL24587098 | 0.74 | CHRNB2 (0.31) | — | |
| SCHEMBL14721090 | 0.74 | CHRNB2 (0.31) | — | |
| SCHEMBL26934613 | 0.74 | CHRNB2 (0.31) | — | |
| SCHEMBL14721460 | 0.74 | CHRNB2 (0.31) | — | |
| SCHEMBL14720990 | 0.71 | CHRNB2 (0.32) | — | |
| SCHEMBL24586204 | 0.71 | CHRNB2 (0.32) | — | |
| SCHEMBL26934713 | 0.71 | CHRNB2 (0.32) | — | |
| SCHEMBL26934727 | 0.71 | CHRNB2 (0.32) | — |
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-11840495-B2 | Compositions and methods related to di-substituted bicyclo[2.2.1] heptanamine-containing compounds | THE BROAD INSTITUTE, INC. (US) | 2023-12-12 | — | — | US | disclosed |