⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL29042900 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28745221 | 0.67 | — | — | |
| Water SCHEMBL8648452 | 0.67 | TP53 (0.41) | — | |
| SCHEMBL3276340 | 0.67 | — | — | |
| Methyl Alcohol SCHEMBL28596492 | 0.63 | — | — | |
| SCHEMBL30978857 | 0.57 | — | — | |
| Chlorobenzene SCHEMBL13994765 | 0.54 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL2043383 | 0.54 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL31019850 | 0.50 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL42874 | 0.49 | — | — |
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-4024174-A | MEDICINE | ONO PHARMACEUTICAL COMPANY (JA) | 1977-05-17 | — | — | US | disclosed |