⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL7996422 | 1.00 | — | — | |
| SCHEMBL29816 | 0.95 | — | — | |
| SCHEMBL9504478 | 0.90 | LAP3 (0.35) | — | |
| SCHEMBL19198171 | 0.90 | — | — | |
| SCHEMBL8030971 | 0.90 | — | — | |
| SCHEMBL8009121 | 0.90 | — | — | |
| Propane SCHEMBL5395474 | 0.90 | LAP3 (0.35) | — | |
| SCHEMBL5615809 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL11054970 | 0.90 | LAP3 (0.35) | — | |
| Barium SCHEMBL4907529 | 0.90 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1922397-A1 | FABRIC CONDITIONING COMPOSITION | Unilever Plc (GB) | 2008-05-21 | — | — | EP | disclosed |
| WO-2007028495-A1 | FABRIC CONDITIONING COMPOSITION | UNILEVER PLC (GB) | 2007-03-15 | — | — | WO | disclosed |