⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL350970 | 0.77 | — | — | |
| SCHEMBL9684070 | 0.76 | — | — | |
| SCHEMBL51282 | 0.76 | — | — | |
| SCHEMBL1644428 | 0.74 | CA12 (0.50) | — | |
| SCHEMBL2336707 | 0.72 | — | — | |
| SCHEMBL16697214 | 0.72 | CA12 (0.47) | — | |
| SCHEMBL4477562 | 0.72 | — | — | |
| SCHEMBL2990274 | 0.72 | — | — | |
| SCHEMBL11549656 | 0.72 | CA12 (0.61) | — | |
| SCHEMBL2355117 | 0.72 | CA12 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009056779-A2 | LIGHTENING AND/OR DYEING OF HUMAN KERATINOUS FIBRES USING A COMPOSITION CONTAINING A PARTICULAR AMINO-SILICATED COMPOUND, AND COMPOSITION AND DEVICE | L'OREAL (FR) | 2009-05-07 | — | — | WO | disclosed |