⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11067825 | 0.82 | CCR1 (0.50) | — | |
| SCHEMBL14573460 | 0.80 | CCR1 (0.52) | — | |
| SCHEMBL18682734 | 0.80 | CCR1 (0.52) | — | |
| SCHEMBL469189 | 0.78 | — | — | |
| SCHEMBL286357 | 0.76 | — | — | |
| SCHEMBL21166 | 0.76 | — | — | |
| SCHEMBL1515370 | 0.76 | — | — | |
| SCHEMBL3021010 | 0.76 | — | — | |
| SCHEMBL9645202 | 0.76 | — | — | |
| SCHEMBL7931492 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012069601-A1 | SUBSTITUTED QUINAZOLINES AS FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-05-31 | — | — | WO | disclosed |
| US-20070275995-A1 | Thiobenzimidazole derivatives | TEIJIN PHARMA LIMITED | 2007-11-29 | — | — | US | disclosed |
| US-7268145-B2 | Thiobenzimidazole derivatives | TEIJIN PHARMA LIMITED (JP) | 2007-09-11 | — | — | US | disclosed |