⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13525182 | 0.74 | GAA (0.35) | — | |
| SCHEMBL1435819 | 0.69 | KDM4E (0.33) | — | |
| SCHEMBL1435815 | 0.69 | KDM4E (0.33) | — | |
| SCHEMBL11241480 | 0.67 | CA1 (0.33) | — | |
| SCHEMBL13525233 | 0.66 | CYP1A2 (0.41) | — | |
| SCHEMBL13525239 | 0.65 | CA1 (0.38) | — | |
| SCHEMBL13525209 | 0.60 | MEN1 (0.31) | — | |
| SCHEMBL5768693 | 0.59 | RAB9A (0.47) | — | |
| SCHEMBL11787732 | 0.59 | PTGS1 (0.38) | — | |
| SCHEMBL12957918 | 0.58 | MAPT (0.54) | — |
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-2002067882-A1 | HAIR COLORANT IN THE FORM OF A CREAMY PERMANENT MOUSSE OR A STABLE FOAMED CREME COLORANT | WELLA AKTIENGESELLSCHAFT (DE) | 2002-09-06 | — | — | WO | disclosed |