⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5603190 | 0.72 | — | — | |
| SCHEMBL27877628 | 0.72 | — | — | |
| SCHEMBL537861 | 0.72 | — | — | |
| SCHEMBL11432453 | 0.72 | — | — | |
| SCHEMBL5480279 | 0.70 | TBXAS1 (0.50) | — | |
| SCHEMBL12770894 | 0.70 | — | — | |
| SCHEMBL3145152 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL5602217 | 0.70 | — | — | |
| SCHEMBL5857339 | 0.69 | — | — | |
| SCHEMBL3222246 | 0.67 | TBXAS1 (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2009091295-A | METHOD FOR PRODUCING N-(HYDROXYALKYL)PYRROLE COMPOUND | NIPPON SHOKUBAI CO LTD | 2009-04-30 | — | — | JP | disclosed |
| JP-2009091294-A | METHOD FOR PRODUCING N-(HYDROXYALKYL)PYRROLE COMPOUND | NIPPON SHOKUBAI CO LTD | 2009-04-30 | — | — | JP | disclosed |
| US-4518605-A | Fungicidal azole-substituted oximino-cyano-acetamide derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1985-05-21 | — | — | US | disclosed |