⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5348431 | 0.91 | NAAA (0.46) | — | |
| SCHEMBL5354726 | 0.91 | NAAA (0.42) | — | |
| SCHEMBL5357978 | 0.90 | CYP2C19 (0.49) | — | |
| SCHEMBL9345676 | 0.86 | MAP3K5 (0.33) | — | |
| SCHEMBL11418612 | 0.86 | APOBEC3A (0.42) | — | |
| SCHEMBL8346264 | 0.86 | APOBEC3A (0.52) | — | |
| SCHEMBL9646620 | 0.84 | NAAA (0.38) | — | |
| SCHEMBL13696684 | 0.83 | MAPT (0.42) | — | |
| SCHEMBL3368606 | 0.81 | MCL1 (0.33) | — | |
| SCHEMBL8892699 | 0.74 | GAA (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7300953-B2 | Process for preparing nitrile compound, carboxylic acid compound or carboxylic acid ester compound | UBE INDUSTRIES, LTD (JP) | 2007-11-27 | — | — | US | disclosed |
| US-20060287541-A1 | Subjecting a 4-substituted tetrahydropyran-4-carboxylic acid compound to to decarboxylation in the presence of a metal catalyst for producing 4-substituted tetrahydropyran | UBE INDUSTRIES, LTD. (JP) | 2006-12-21 | — | — | US | disclosed |
| EP-1671937-A1 | METHOD FOR PRODUCING NITRILE COMPOUND, CARBOXYLIC ACID COMPOUND OR CARBOXYLATE COMPOUND | Ube Industries, Ltd. (JP) | 2006-06-21 | — | — | EP | disclosed |