⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL54554 | 1.00 | — | — | |
| SCHEMBL14118744 | 0.98 | — | — | |
| SCHEMBL3261426 | 0.98 | — | — | |
| SCHEMBL2692827 | 0.98 | — | — | |
| SCHEMBL4337658 | 0.95 | — | — | |
| Hexane SCHEMBL9718001 | 0.94 | NAAA (0.34) | — | |
| SCHEMBL4469403 | 0.91 | — | — | |
| SCHEMBL4467771 | 0.91 | — | — | |
| SCHEMBL29619571 | 0.91 | — | — | |
| P-Xylene SCHEMBL888077 | 0.89 | MEN1 (0.30) | — |
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-1533329-A1 | Aqueous polyurethane dispersion and method for making and using same | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2005-05-25 | — | — | EP | claimed |