⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29342093 | 0.75 | — | — | |
| SCHEMBL485846 | 0.75 | — | — | |
| Water SCHEMBL27335870 | 0.73 | — | — | |
| SCHEMBL48624 | 0.71 | — | — | |
| SCHEMBL2889944 | 0.70 | CYP2D6 (0.35) | — | |
| SCHEMBL21891774 | 0.70 | — | — | |
| Water SCHEMBL27286505 | 0.70 | GAA (0.46) | — | |
| SCHEMBL11860209 | 0.70 | NAAA (0.42) | — | |
| SCHEMBL15137283 | 0.70 | LMNA (0.39) | — | |
| SCHEMBL575780 | 0.69 | NAAA (0.36) | — |
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-6287701-B1 | BLEND OF WATER SOLUBLE RESIN, ORGANOSILICON COMPOUND AND WATER | CHUO RIKA KOGYO CORPORATION (JP) | 2001-09-11 | — | — | US | disclosed |