⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13780579 | 1.00 | — | — | |
| SCHEMBL27610746 | 0.72 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL6673876 | 0.71 | ACE2 (0.39) | — | |
| SCHEMBL10338316 | 0.71 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL10338313 | 0.71 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL5486557 | 0.67 | — | — | |
| SCHEMBL3043989 | 0.67 | TSHR (0.50) | — | |
| SCHEMBL2378519 | 0.65 | — | — | |
| SCHEMBL6673904 | 0.65 | ABCB11 (0.47) | — | |
| SCHEMBL2641075 | 0.65 | ABCB11 (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1409440-A4 | A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS | ROHM & HAAS (US) | 2005-09-14 | — | — | EP | disclosed |
| EP-1409440-A1 | A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS | ROHM AND HAAS COMPANY (US) | 2004-04-21 | — | — | EP | disclosed |
| WO-2002068367-A1 | A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS | ROHM AND HAAS COMPANY (US) | 2002-09-06 | — | — | WO | disclosed |