⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10888158 | 0.90 | — | — | |
| SCHEMBL9494823 | 0.88 | — | — | |
| SCHEMBL10889446 | 0.88 | NPC1 (0.30) | — | |
| SCHEMBL9492917 | 0.88 | NPC1 (0.30) | — | |
| SCHEMBL9492279 | 0.87 | — | — | |
| SCHEMBL29378248 | 0.87 | — | — | |
| SCHEMBL9493987 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL11203336 | 0.86 | — | — | |
| Potassium Ion SCHEMBL11202087 | 0.85 | — | — | |
| SCHEMBL29375604 | 0.85 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4582841-A | ANTITUMOR AND -CARCINOGENIC AGENTS | CIBA-GEIGY CORPORATION (US) | 1986-04-15 | — | — | US | claimed |
| EP-0132231-A2 | Substituted thiazolidinyl esters made from inorganic acid amides | CIBA-GEIGY AG (CH) | 1985-01-23 | — | — | EP | claimed |
| US-4582841-A | ANTITUMOR AND -CARCINOGENIC AGENTS | CIBA-GEIGY CORPORATION (US) | 1986-04-15 | — | — | US | disclosed |
| EP-0132231-A2 | Substituted thiazolidinyl esters made from inorganic acid amides | CIBA-GEIGY AG (CH) | 1985-01-23 | — | — | EP | disclosed |