⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1171536 | 1.00 | — | — | |
| SCHEMBL11552819 | 0.80 | — | — | |
| SCHEMBL503840 | 0.74 | — | — | |
| SCHEMBL503841 | 0.74 | — | — | |
| SCHEMBL14394636 | 0.74 | — | — | |
| SCHEMBL611732 | 0.74 | CES1 (0.38) | — | |
| SCHEMBL6810502 | 0.74 | CES1 (0.38) | — | |
| SCHEMBL10424302 | 0.71 | — | — | |
| SCHEMBL3836652 | 0.69 | — | — | |
| SCHEMBL27706370 | 0.69 | — | — |
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-6596793-B2 | Polyer containing unsaturated acid and unsaturated ester units | KANSAI PAINT CO., LTD. (JP) | 2003-07-22 | — | — | US | disclosed |