⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3817928 | 0.75 | — | — | |
| SCHEMBL9657156 | 0.75 | ALPG (0.36) | — | |
| SCHEMBL10709672 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL28712643 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL28710906 | 0.73 | — | — | |
| SCHEMBL8846699 | 0.69 | — | — | |
| SCHEMBL4619571 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL30472559 | 0.69 | — | — | |
| SCHEMBL10998105 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL11418492 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0397364-B1 | HETEROCYCLIC GUANIDINES AS 5HT 3 ANTAGONISTS | PFIZER INC. (US) | 1993-07-28 | — | — | EP | disclosed |
| US-4963689-A | ANTIEMETICS, ANALGESICS, GASTROINTESTINAL DISORDERS, SCHIZOPHRENIA | PFIZER INC. (US) | 1990-10-16 | — | — | US | disclosed |