⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27583117 | 0.81 | GCLC (0.31) | — | |
| SCHEMBL5033928 | 0.74 | CHRM1 (0.41) | — | |
| SCHEMBL5038575 | 0.74 | CHRM1 (0.41) | — | |
| SCHEMBL11191504 | 0.72 | SLC1A3 (0.40) | — | |
| SCHEMBL8330667 | 0.70 | TDP1 (0.37) | — | |
| SCHEMBL7501293 | 0.66 | ALDH1A1 (0.34) | — | |
| SCHEMBL7498163 | 0.66 | ALDH1A1 (0.34) | — | |
| SCHEMBL7496898 | 0.66 | ALDH1A1 (0.34) | — | |
| SCHEMBL7499567 | 0.66 | ALDH1A1 (0.34) | — | |
| SCHEMBL7496903 | 0.66 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| US-4431845-A | CATALYST SYSTEM OF A FLUORINATED ACID AND A TIN COMPOUND; DISCOLORATION INHIBITION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1984-02-14 | — | — | US | disclosed |