⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11428720 | 0.48 | — | — | |
| SCHEMBL28355647 | 0.45 | — | — | |
| SCHEMBL11028666 | 0.45 | — | — | |
| SCHEMBL11299951 | 0.45 | — | — | |
| SCHEMBL2464464 | 0.40 | — | — | |
| Calcium Chloride SCHEMBL5381230 | 0.38 | — | — | |
| SCHEMBL7079561 | 0.35 | — | — | |
| Calcium Chloride SCHEMBL25175017 | 0.34 | — | — | |
| Calcium Chloride SCHEMBL21751993 | 0.34 | — | — | |
| Calcium Chloride SCHEMBL19989728 | 0.34 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1948649-B1 | FUNGICIDAL CARBOXAMIDES | DU PONT (US) | 2013-06-26 | — | — | EP | disclosed |
| US-4348204-A | COTTON, REGENERATED CELLULOSE, PAPER; TETRAKISAZO DYES | CASSELLA AKTIENGESELLSCHAFT (DE) | 1982-09-07 | — | — | US | disclosed |
| US-4144231-A | Soluble trisazo dyestuffs containing a 2-phenyl-benzimidazolyl, -benzoxazolyl or -benzthiazolyl middle component | CASSELLA AKTIENGESELLSCHAFT (DE) | 1979-03-13 | — | — | US | disclosed |
| US-4143033-A | WATER-SOLUBLE DISAZO DYESTUFFS CONTAINING A 2-PHENYL-BENZIMIDAZOLYL,-BENZOXAZOLYL OR-BENZTHIAZOLYL MIDDLE COMPONENT | CASSELLA AKTIENGESELLSCHAFT (DE) | 1979-03-06 | — | — | US | disclosed |
| US-4137228-A | HIGH TINCTORIAL STRENGTH, COLORFASTNESS | CASSELLA AKTIENGESELLSCHAFT (DE) | 1979-01-30 | — | — | US | disclosed |