⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8864202 | 0.75 | — | — | |
| SCHEMBL339794 | 0.71 | HSD17B10 (0.34) | — | |
| Sulfuric Acid SCHEMBL28860062 | 0.71 | CA5A (0.40) | — | |
| Sulfuric Acid SCHEMBL28059532 | 0.69 | CA5A (0.38) | — | |
| Hydrochloric Acid SCHEMBL28827713 | 0.69 | HSD17B10 (0.33) | — | |
| Sulfuric Acid SCHEMBL28167631 | 0.68 | — | — | |
| Hydrogen Sulfide SCHEMBL28046696 | 0.68 | — | — | |
| SCHEMBL10762699 | 0.68 | — | — | |
| Sulfuric Acid SCHEMBL9350051 | 0.67 | CA5A (0.43) | — | |
| Tetrylammonium SCHEMBL36704 | 0.67 | TSHR (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0462287-B1 | POLYMER COMPOSITION, AQUEOUS DISPERSION PREPARED BY USING THE SAME AS EMULSIFIER, AND WATER-BASE COATING COMPOSITION | NIPPON PAINT CO LTD (JP) | 1996-11-13 | — | — | EP | disclosed |
| EP-0462287-A1 | POLYMER COMPOSITION, AQUEOUS DISPERSION PREPARED BY USING THE SAME AS EMULSIFIER, AND WATER-BASE COATING COMPOSITION | NIPPON PAINT CO., LTD. (JP) | 1991-12-27 | — | — | EP | disclosed |