⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10868812 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL10868689 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL10411398 | 0.96 | — | — | |
| SCHEMBL10868702 | 0.90 | ALDH1A1 (0.46) | — | |
| SCHEMBL10868803 | 0.88 | ALDH1A1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL10868679 | 0.87 | ALDH1A1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL10411396 | 0.86 | ALDH1A1 (0.44) | — | |
| SCHEMBL10869112 | 0.79 | — | — | |
| SCHEMBL10868108 | 0.77 | — | — | |
| SCHEMBL2270614 | 0.71 | GPR84 (0.43) | — |
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-0178413-A1 | Benzimidazoles | BEECHAM GROUP PLC (GB) | 1986-04-23 | — | — | EP | claimed |