⚠ 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 | |
|---|---|---|---|---|
| Crotonic Acid SCHEMBL158533 | 0.92 | TSHR (0.33) | — | |
| Crotonic Acid SCHEMBL27531096 | 0.92 | TSHR (0.33) | — | |
| Crotonic Acid SCHEMBL158532 | 0.92 | TSHR (0.33) | — | |
| Crotonic Acid SCHEMBL11318968 | 0.92 | TSHR (0.33) | — | |
| Crotonic Acid SCHEMBL11864311 | 0.92 | TSHR (0.33) | — | |
| Maleic Acid SCHEMBL3054741 | 0.90 | TSHR (0.38) | — | |
| Methacrylic Acid SCHEMBL307309 | 0.86 | TDP1 (0.36) | — | |
| Methacrylic Acid SCHEMBL10777668 | 0.84 | LMNA (0.43) | — | |
| Methacrylic Acid SCHEMBL3643411 | 0.84 | TDP1 (0.35) | — | |
| Methacrylic Acid SCHEMBL27704543 | 0.84 | TDP1 (0.35) | — |
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-4470935-A | AMINO RESINS, ANION MODIFIED POLYVINYL ALCOHOL, CARBOXY POLYMER | JUJO PAPER CO., LTD. (JP) | 1984-09-11 | — | — | US | disclosed |