⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9800087 | 0.67 | GGPS1 (0.30) | — | |
| SCHEMBL781948 | 0.63 | ARG1 (0.33) | — | |
| SCHEMBL723835 | 0.62 | CDC25A (0.33) | — | |
| SCHEMBL16652398 | 0.62 | CDC25A (0.33) | — | |
| SCHEMBL20856928 | 0.61 | TDP1 (0.38) | — | |
| SCHEMBL16653037 | 0.59 | ALOX5 (0.36) | — | |
| SCHEMBL14697385 | 0.59 | ALOX5 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL7720467 | 0.59 | CYP1A2 (0.37) | — | |
| SCHEMBL8411260 | 0.59 | ALOX5 (0.36) | — | |
| SCHEMBL16652985 | 0.59 | ALOX5 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5360876-A | Formaldehyde-free | BURGOYNE JR WILLIAM F (US) | 1994-11-01 | — | — | US | disclosed |
| US-5336807-A | Diurea-,-carbamate- or -amide-containing acetal compounds; stable as solids or liquids; replace formaldehyde-containing resin crosslinkers in adhesives and coatings | AIR PRODUCTS & CHEMICALS, INC. (US) | 1994-08-09 | — | — | US | disclosed |