⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4803524 | 0.86 | — | — | |
| SCHEMBL6694205 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL4800320 | 0.83 | — | — | |
| SCHEMBL5198322 | 0.82 | — | — | |
| SCHEMBL5197586 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL4806230 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL4805085 | 0.70 | — | — | |
| SCHEMBL5198958 | 0.69 | — | — | |
| SCHEMBL5196560 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL4804736 | 0.68 | — | — |
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-2007071683-A1 | COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND A NONIONIC SURFACTANT | L'ORÉAL (FR) | 2007-06-28 | — | — | WO | disclosed |