⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14721022 | 0.98 | — | — | |
| SCHEMBL26935076 | 0.82 | — | — | |
| SCHEMBL14721090 | 0.74 | CHRNB2 (0.31) | — | |
| SCHEMBL26934613 | 0.74 | CHRNB2 (0.31) | — | |
| SCHEMBL24587098 | 0.74 | CHRNB2 (0.31) | — | |
| SCHEMBL14720999 | 0.73 | — | — | |
| SCHEMBL26935928 | 0.73 | KDM4E (0.31) | — | |
| SCHEMBL14721236 | 0.71 | CHRNB2 (0.41) | — | |
| SCHEMBL14721238 | 0.71 | CHRNB2 (0.41) | — | |
| SCHEMBL14721311 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022140677-A1 | COMPOSITIONS AND METHODS RELATED TO DI-SUBSTITUTED BICYCLO[2.2.1] HEPTANAMINE-CONTAINING COMPOUNDS | THE BROAD INSTITUTE, INC. (US) | 2022-06-30 | — | — | WO | disclosed |
| WO-2013026852-A2 | DERIVATIVES OF MECAMYLAMINE | THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) | 2013-02-28 | — | — | WO | disclosed |