⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28002 | 0.88 | — | — | |
| SCHEMBL9960512 | 0.82 | — | — | |
| SCHEMBL1160110 | 0.74 | — | — | |
| SCHEMBL9558969 | 0.73 | — | — | |
| SCHEMBL9737004 | 0.73 | — | — | |
| SCHEMBL3826644 | 0.71 | — | — | |
| SCHEMBL15262017 | 0.71 | — | — | |
| SCHEMBL1479371 | 0.71 | — | — | |
| SCHEMBL48237 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL30338299 | 0.69 | ALDH1A1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1028135-A1 | Method for making 1,2,4-Triazole blocked polyisocyanate crosslinkers, coating compositions and coatings prepared therefrom | Bayer Corporation (US) | 2000-08-16 | — | — | EP | claimed |