⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7654901 | 0.64 | — | — | |
| SCHEMBL4619259 | 0.61 | — | — | |
| SCHEMBL9210148 | 0.55 | — | — | |
| SCHEMBL4621687 | 0.55 | — | — | |
| Isopropyl Alcohol SCHEMBL7156569 | 0.48 | — | — | |
| SCHEMBL1768522 | 0.47 | — | — | |
| Isopropyl Alcohol SCHEMBL29866422 | 0.45 | — | — | |
| Isopropyl Alcohol SCHEMBL31458960 | 0.45 | — | — | |
| SCHEMBL21106026 | 0.45 | LPO (0.38) | — | |
| SCHEMBL17265931 | 0.44 | — | — |
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-1601335-B1 | MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES | WELLA AG (DE) | 2008-03-19 | — | — | EP | claimed |