⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL844616 | 1.00 | — | — | |
| SCHEMBL1257392 | 0.90 | AKR1C3 (0.35) | — | |
| SCHEMBL4416632 | 0.84 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL340385 | 0.84 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL1696446 | 0.77 | TDP1 (0.33) | — | |
| SCHEMBL28874538 | 0.73 | RECQL (0.38) | — | |
| SCHEMBL5145532 | 0.70 | TDP1 (0.32) | — | |
| SCHEMBL6853283 | 0.70 | TDP1 (0.32) | — | |
| SCHEMBL489074 | 0.69 | L3MBTL1 (0.34) | — | |
| SCHEMBL9154798 | 0.69 | FFAR3 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1127898-B1 | Process for production of copolymer composition and water-repellent, oil-repellent agent | NICCA CHEMICAL CO (JP) | 2004-05-19 | — | — | EP | claimed |