⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13020965 | 0.94 | — | — | |
| SCHEMBL15062937 | 0.85 | CYP1A2 (0.30) | — | |
| SCHEMBL497045 | 0.85 | CYP1A2 (0.30) | — | |
| SCHEMBL12997236 | 0.83 | NQO1 (0.32) | — | |
| SCHEMBL13020947 | 0.80 | DNM1 (0.31) | — | |
| SCHEMBL12997207 | 0.80 | — | — | |
| SCHEMBL13022276 | 0.78 | — | — | |
| SCHEMBL13020948 | 0.77 | DNM1 (0.34) | — | |
| SCHEMBL13020971 | 0.76 | DNM1 (0.40) | — | |
| SCHEMBL10024646 | 0.75 | DNM1 (0.51) | — |
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-2010142776-A1 | N-OXIDIZED AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM SECONDARY, N-ALKYLAMINATED PARA-PHENYLENEDIAMINES, METHOD OF HAIR DYEING USING THESE DYES | L'OREAL (FR) | 2010-12-16 | — | — | WO | disclosed |