⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8854519 | 0.88 | — | — | |
| SCHEMBL8854462 | 0.85 | FFAR4 (0.34) | — | |
| SCHEMBL8854539 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL8854604 | 0.83 | PKM (0.31) | — | |
| SCHEMBL8854464 | 0.81 | KEAP1 (0.32) | — | |
| SCHEMBL8854500 | 0.80 | STK10 (0.33) | — | |
| SCHEMBL8854641 | 0.78 | GABRA1 (0.33) | — | |
| SCHEMBL27466465 | 0.77 | LMNA (0.30) | — | |
| SCHEMBL8854438 | 0.76 | GAA (0.34) | — | |
| SCHEMBL8854621 | 0.76 | HCRTR1 (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-5693590-A | PLANT GROWTH REGULATOR | ROHM AND HAAS COMPANY (US) | 1997-12-02 | — | — | US | claimed |