⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10977961 | 0.82 | — | — | |
| SCHEMBL10749977 | 0.76 | MC4R (0.44) | — | |
| SCHEMBL23058774 | 0.71 | MEN1 (0.48) | — | |
| SCHEMBL23039956 | 0.71 | MEN1 (0.48) | — | |
| SCHEMBL23039954 | 0.71 | MEN1 (0.48) | — | |
| SCHEMBL2234342 | 0.70 | PTPRB (0.52) | — | |
| Hydrochloric Acid SCHEMBL30521710 | 0.70 | MEN1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL13733682 | 0.70 | MEN1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL13733690 | 0.70 | MEN1 (0.47) | — | |
| SCHEMBL5019060 | 0.69 | KMT2A (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4663319-A | LIVER DISORDERS | TANABE SEIYSKU CO., LTD. (JP) | 1987-05-05 | — | — | US | disclosed |