⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8854488 | 0.86 | — | — | |
| SCHEMBL8854516 | 0.85 | FFAR1 (0.31) | — | |
| SCHEMBL8854478 | 0.84 | FFAR4 (0.34) | — | |
| SCHEMBL8854579 | 0.82 | FFAR4 (0.30) | — | |
| SCHEMBL8730032 | 0.82 | — | — | |
| SCHEMBL8854619 | 0.82 | KMT2A (0.31) | — | |
| SCHEMBL8854465 | 0.81 | — | — | |
| SCHEMBL8730034 | 0.81 | FFAR4 (0.31) | — | |
| SCHEMBL8854532 | 0.79 | FFAR4 (0.33) | — | |
| SCHEMBL8734598 | 0.78 | SMN1; SMN2 (0.35) | — |
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 |