⚠ 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 | |
|---|---|---|---|---|
| Benzotriazole SCHEMBL8956 | 0.81 | — | — | |
| Benzotriazole SCHEMBL29381270 | 0.81 | — | — | |
| Benzotriazole SCHEMBL6088869 | 0.81 | ALDH1A1 (0.41) | — | |
| Benzotriazole SCHEMBL9775741 | 0.79 | ALDH1A1 (0.35) | — | |
| Benzotriazole SCHEMBL9359282 | 0.79 | ALDH1A1 (0.39) | — | |
| Benzotriazole SCHEMBL3665910 | 0.79 | ALDH1A1 (0.39) | — | |
| Benzotriazole SCHEMBL1151651 | 0.79 | ALDH1A1 (0.39) | — | |
| Benzotriazole SCHEMBL9979189 | 0.79 | ALDH1A1 (0.39) | — | |
| Benzotriazole SCHEMBL343607 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL20445532 | 0.79 | ALDH1A1 (0.39) | — |
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-0421453-A1 | Silver halide color photographic material | FUJI PHOTO FILM CO., LTD. (JP) | 1991-04-10 | — | — | EP | disclosed |