⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6400625 | 0.67 | — | — | |
| SCHEMBL168340 | 0.61 | — | — | |
| SCHEMBL8819295 | 0.59 | — | — | |
| SCHEMBL11022586 | 0.59 | — | — | |
| SCHEMBL1066043 | 0.59 | — | — | |
| SCHEMBL1533512 | 0.59 | — | — | |
| SCHEMBL10358052 | 0.57 | CPA1 (0.31) | — | |
| SCHEMBL10529190 | 0.57 | — | — | |
| SCHEMBL902747 | 0.57 | TSHR (0.33) | — | |
| Nitric Acid SCHEMBL23277223 | 0.57 | CA5A (0.38) | — |
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-0145438-A2 | Laundry additive products | THE PROCTER & GAMBLE COMPANY (US) | 1985-06-19 | — | — | EP | disclosed |