⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7635216 | 0.80 | — | — | |
| SCHEMBL7939673 | 0.80 | — | — | |
| SCHEMBL11233154 | 0.79 | CA1 (0.33) | — | |
| SCHEMBL11457289 | 0.74 | TRPM8 (0.58) | — | |
| SCHEMBL4578418 | 0.70 | — | — | |
| SCHEMBL7635700 | 0.69 | ACE2 (0.32) | — | |
| SCHEMBL1026314 | 0.68 | — | — | |
| SCHEMBL3223235 | 0.67 | — | — | |
| SCHEMBL13330995 | 0.67 | — | — | |
| Water SCHEMBL10626558 | 0.67 | — | — |
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-2180053-B1 | Wisp polypeptides and therapeutical applications thereof | GENENTECH INC (US) | 2012-02-08 | — | — | EP | disclosed |