⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL149416 | 1.00 | — | — | |
| SCHEMBL34404 | 1.00 | — | — | |
| SCHEMBL28201803 | 1.00 | PTGS1 (0.40) | — | |
| SCHEMBL8935075 | 0.97 | — | — | |
| Acetamide SCHEMBL27400623 | 0.91 | LMNA (0.47) | — | |
| Phosphoric Acid SCHEMBL15157054 | 0.88 | PTGS1 (0.34) | — | |
| Methacrylic Acid SCHEMBL7518017 | 0.88 | TDP1 (0.36) | — | |
| Fumaric Acid SCHEMBL4606405 | 0.88 | TSHR (0.50) | — | |
| Methacrylic Acid SCHEMBL27617320 | 0.88 | TDP1 (0.36) | — | |
| Maleic Acid SCHEMBL4606400 | 0.88 | TSHR (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005030212-A1 | 4-AMINOQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS PDE4 INHIBITORS | GLAXO GROUP LIMITED (GB) | 2005-04-07 | — | — | WO | disclosed |
| US-4017611-A | Control of insects with 3-hydroxymethacrylic acid methyl ester dimethylthionophosphate | CIBA-GEIGY AG (CH) | 1977-04-12 | — | — | US | disclosed |