⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14606576 | 0.78 | MMP8 (0.31) | — | |
| SCHEMBL11873479 | 0.76 | CYP1A2 (0.32) | — | |
| SCHEMBL18546207 | 0.74 | TP53 (0.30) | — | |
| SCHEMBL9657665 | 0.74 | FDPS (0.40) | — | |
| SCHEMBL20801684 | 0.73 | GABBR2 (0.37) | — | |
| SCHEMBL20652627 | 0.71 | TP53 (0.32) | — | |
| SCHEMBL8759701 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL28253245 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL13636130 | 0.66 | CA5A (0.31) | — | |
| SCHEMBL17480197 | 0.66 | ALDH1A1 (0.32) | — |
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-3959362-A | Ammonium mercaptoalkanesulfonate salts, their preparation, photographic fixing solutions containing same, and method of fixing photographic film therewith | EASTMAN KODAK COMPANY (US) | 1976-05-25 | — | — | US | disclosed |