⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22845685 | 0.78 | — | — | |
| SCHEMBL19135637 | 0.78 | — | — | |
| SCHEMBL22984346 | 0.77 | CYP2D6 (0.35) | — | |
| SCHEMBL254096 | 0.75 | KMT2A (0.40) | — | |
| SCHEMBL10265510 | 0.75 | PABPC1 (0.32) | — | |
| SCHEMBL6389818 | 0.75 | PABPC1 (0.36) | — | |
| SCHEMBL24334353 | 0.74 | — | — | |
| SCHEMBL15113497 | 0.74 | — | — | |
| SCHEMBL6388243 | 0.73 | PABPC1 (0.39) | — | |
| SCHEMBL13347183 | 0.73 | KDM4E (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11820767-B2 | Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2023-11-21 | — | — | US | disclosed |
| WO-2017049321-A1 | BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION | MILLER MARVIN J (US) | 2017-03-23 | — | — | WO | disclosed |