⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17772265 | 0.74 | — | — | |
| SCHEMBL3635428 | 0.72 | — | — | |
| SCHEMBL3635431 | 0.72 | — | — | |
| SCHEMBL23565692 | 0.72 | — | — | |
| SCHEMBL24658643 | 0.69 | — | — | |
| SCHEMBL22880787 | 0.67 | — | — | |
| SCHEMBL24345993 | 0.67 | — | — | |
| SCHEMBL20196067 | 0.65 | — | — | |
| SCHEMBL278502 | 0.64 | — | — | |
| Trifluoroacetic Acid SCHEMBL22411252 | 0.64 | TSHR (0.33) | — |
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-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 |