⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL575606 | 0.77 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL777014 | 0.77 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL779200 | 0.70 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL8716786 | 0.69 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL575493 | 0.69 | TSHR (0.52) | — | |
| SCHEMBL778819 | 0.68 | TSHR (0.46) | — | |
| SCHEMBL778185 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL19347772 | 0.66 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL15698707 | 0.64 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL29723046 | 0.64 | TSHR (0.65) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0537996-B1 | Avermectin compounds with a 6,5-spiroketal ring system and a 23-acyl substituent | MERCK & CO INC (US) | 1998-01-07 | — | — | EP | disclosed |