⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL858254 | 0.97 | — | — | |
| SCHEMBL28303446 | 0.94 | — | — | |
| Phosphine SCHEMBL28160341 | 0.94 | — | — | |
| Methane SCHEMBL28208466 | 0.94 | — | — | |
| SCHEMBL28582167 | 0.94 | — | — | |
| Hydrogen Sulfide SCHEMBL27864758 | 0.94 | — | — | |
| Urea SCHEMBL27411671 | 0.92 | ALDH1A1 (0.33) | — | |
| Formaldehyde SCHEMBL27688351 | 0.92 | — | — | |
| Acetic Acid SCHEMBL28075866 | 0.85 | FFAR3 (0.33) | — | |
| Naphthalene SCHEMBL28303443 | 0.79 | F2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104981473-A | Azine metal phosphates as flame-retardant materials | CATANA ADDITIVES GMBH & CO KG | 2015-10-14 | — | — | CN | disclosed |