⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL820925 | 1.00 | — | — | |
| SCHEMBL820926 | 1.00 | — | — | |
| SCHEMBL232856 | 0.85 | ALDH1A1 (0.49) | — | |
| SCHEMBL232855 | 0.85 | ALDH1A1 (0.49) | — | |
| SCHEMBL23140062 | 0.85 | TGM2 (0.40) | — | |
| SCHEMBL23140079 | 0.85 | TGM2 (0.40) | — | |
| SCHEMBL11103678 | 0.83 | CNR2 (0.53) | — | |
| SCHEMBL11103679 | 0.83 | CNR2 (0.53) | — | |
| SCHEMBL24703252 | 0.83 | TGM2 (0.39) | — | |
| SCHEMBL10810547 | 0.83 | TGM2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4454286-A | Complexes of N-methylolacrylamides with polyalkoxylates and polymerization to ungelled poly(N-methylolacrylamides) | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1984-06-12 | — | — | US | disclosed |
| US-4393173-A | STABILIZED BY HYDROGEN BONDING | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1983-07-12 | — | — | US | disclosed |