⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24153344 | 0.75 | — | — | |
| SCHEMBL19005076 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL18985946 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL6633417 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL28873183 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL387346 | 0.69 | — | — | |
| SCHEMBL20436905 | 0.69 | — | — | |
| SCHEMBL22722111 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL24146525 | 0.67 | — | — | |
| SCHEMBL4735153 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017102091-A1 | HETEROARYLBENZIMIDAZOLE COMPOUNDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-06-22 | — | — | WO | disclosed |