⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8622909 | 0.79 | MMP1 (0.32) | — | |
| SCHEMBL2489615 | 0.76 | — | — | |
| SCHEMBL4319991 | 0.70 | — | — | |
| SCHEMBL1118760 | 0.70 | — | — | |
| SCHEMBL249163 | 0.70 | — | — | |
| SCHEMBL5200737 | 0.70 | — | — | |
| SCHEMBL15843266 | 0.70 | TSHR (0.42) | — | |
| SCHEMBL15843265 | 0.70 | TSHR (0.42) | — | |
| SCHEMBL7309137 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL2883798 | 0.69 | — | — |
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-0470543-A1 | Heterocyclic imidazoles, remedies containing them and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1992-02-12 | — | — | EP | disclosed |