⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29405862 | 0.75 | — | — | |
| SCHEMBL125704 | 0.75 | — | — | |
| Formaldehyde SCHEMBL28845118 | 0.74 | HTT (0.54) | — | |
| Formaldehyde SCHEMBL29152799 | 0.74 | HTT (0.54) | — | |
| Chlorocresol SCHEMBL12344 | 0.74 | — | — | |
| Chlorocresol SCHEMBL6552674 | 0.74 | HSD17B10 (0.59) | — | |
| Chlorocresol SCHEMBL29377724 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL7074606 | 0.72 | ACHE (0.52) | — | |
| Methylhydroquinone SCHEMBL10426478 | 0.72 | TP53 (0.62) | — | |
| SCHEMBL503213 | 0.72 | ESR2 (0.74) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2010037240-A | HYDROXY GROUP-CONTAINING CYCLIC PHOSPHAZENE COMPOUND AND ITS PRODUCTION METHOD | FUSHIMI PHARM CO LTD | 2010-02-18 | — | — | JP | disclosed |