⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL214269 | 0.83 | PPP5C (0.34) | — | |
| SCHEMBL28193765 | 0.75 | PPM1B (0.31) | — | |
| Bicarbonate SCHEMBL3791150 | 0.71 | MAPK1 (0.34) | — | |
| SCHEMBL6441606 | 0.70 | PPP5C (0.30) | — | |
| SCHEMBL1965969 | 0.67 | CYP19A1 (0.33) | — | |
| Formic Acid SCHEMBL28350947 | 0.67 | CYP19A1 (0.32) | — | |
| SCHEMBL28401607 | 0.66 | — | — | |
| SCHEMBL16394025 | 0.65 | PPP5C (0.33) | — | |
| SCHEMBL11441147 | 0.65 | — | — | |
| SCHEMBL7807870 | 0.65 | PPP5C (0.32) | — |
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-2009103720-A1 | COATING ON METAL | DSM IP ASSETS B.V. (NL) | 2009-08-27 | — | — | WO | claimed |
| US-6531533-B1 | Mixtures of polyvinyl chloride and stabilizer agents having colorfastness and improved radiation transparency; used as platisols, porometric materials or coatings | CROMPTON VINYL ADDITIVES GMBH (DE) | 2003-03-11 | — | — | US | disclosed |