⚠ 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 SCHEMBL4800320 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL4803524 | 0.85 | — | — | |
| SCHEMBL5336664 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL4805175 | 0.80 | NPC1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL4809854 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL4803659 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL4804493 | 0.65 | ESR1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL5224066 | 0.65 | — | — | |
| SCHEMBL30804201 | 0.58 | EGLN3 (0.42) | — | |
| Bromide SCHEMBL28446860 | 0.57 | MEN1 (0.42) | — |
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-1378544-A2 | Tetraaza-pentamethine derivatives and their application for dyeing keratinous fibres | L'OREAL (FR) | 2004-01-07 | — | — | EP | claimed |