⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2040766 | 0.59 | — | — | |
| SCHEMBL17598815 | 0.54 | KDM4E (0.30) | — | |
| SCHEMBL357981 | 0.43 | CA2 (0.53) | — | |
| P-Xylene SCHEMBL4858832 | 0.41 | ACHE (0.73) | — | |
| 1,4-Dimethoxybenzene SCHEMBL21802643 | 0.41 | CA1 (1.00) | — | |
| 1,3,5-Trimethoxybenzene SCHEMBL28493 | 0.41 | ALDH1A1 (1.00) | — | |
| SCHEMBL8213378 | 0.40 | ALDH1A1 (0.44) | — | |
| SCHEMBL13880635 | 0.39 | KDM4E (0.35) | — | |
| SCHEMBL287731 | 0.36 | — | — | |
| Bromide SCHEMBL25208276 | 0.34 | — | — |
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-2002074268-A2 | DYEING COMPOSITIONS FOR THE DYEING OF KERATIN FIBRES, COMPRISING HETEROCYCLIC HYDRAZONE COMPOUNDS | L'OREAL (FR) | 2002-09-26 | — | — | WO | disclosed |