⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6427432 | 0.83 | HTR1A (0.30) | — | |
| Hydrochloric Acid SCHEMBL11272849 | 0.65 | HTR1A (0.31) | — | |
| SCHEMBL27796686 | 0.64 | — | — | |
| SCHEMBL27415320 | 0.63 | TTR (0.33) | — | |
| SCHEMBL11039263 | 0.56 | ALDH1A1 (0.37) | — | |
| SCHEMBL10794989 | 0.56 | MMP2 (0.32) | — | |
| SCHEMBL4473110 | 0.54 | KDM4E (0.35) | — | |
| SCHEMBL31072416 | 0.53 | TXNRD1 (0.32) | — | |
| SCHEMBL30499576 | 0.53 | CD44 (0.30) | — | |
| SCHEMBL8817458 | 0.53 | KDM4E (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4472308-A | Azo dyestuffs containing an amino or acylated amino naphthol monosulfonic acid radical and at least one reactive phosphoric or phosphonic acid group | ICI UNITED STATES, INC. (US) | 1984-09-18 | — | — | US | disclosed |