⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9949175 | 1.00 | — | — | |
| SCHEMBL22281781 | 0.82 | CPB2 (0.33) | — | |
| SCHEMBL23378004 | 0.82 | CPB2 (0.33) | — | |
| SCHEMBL24589312 | 0.80 | NFKB1 (0.37) | — | |
| SCHEMBL1408761 | 0.79 | — | — | |
| SCHEMBL18886182 | 0.78 | DNM1 (0.40) | — | |
| SCHEMBL12600724 | 0.78 | DNM1 (0.40) | — | |
| SCHEMBL23946263 | 0.77 | GABRR1 (0.33) | — | |
| SCHEMBL14584605 | 0.77 | GABRR1 (0.33) | — | |
| SCHEMBL10600906 | 0.77 | — | — |
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-20240218022-A1 | ANTI-VISTA MACROCYCLIC PEPTIDES AND COMPOSITIONS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2024-07-04 | — | — | US | disclosed |
| EP-3820846-A1 | COMPOSITION FOR INHIBITING MONOMER POLYMERIZATION COMPRISING A NITROXIDE INHIBITOR, A QUINONE METHIDE RETARDER AND AN AMINE STABILIZER | Ecolab USA, Inc. (US) | 2021-05-19 | — | — | EP | disclosed |