⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9145840 | 0.96 | AGTR1 (0.79) | — | |
| SCHEMBL9566004 | 0.93 | — | — | |
| SCHEMBL9565982 | 0.93 | — | — | |
| SCHEMBL9145503 | 0.92 | — | — | |
| SCHEMBL9566070 | 0.92 | — | — | |
| SCHEMBL9458884 | 0.91 | — | — | |
| SCHEMBL9459066 | 0.89 | — | — | |
| SCHEMBL9565977 | 0.88 | AGTR1 (0.73) | — | |
| SCHEMBL9143056 | 0.87 | AGTR1 (0.77) | — | |
| SCHEMBL9565920 | 0.87 | — | — |
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-5250558-A | Substituted triazolinones, triazolinethiones, and triazolinimines as neurotensin antagonists used to treat psychosis | MERCK & CO., INC. (US) | 1993-10-05 | — | — | US | disclosed |