⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16713182 | 1.00 | — | — | |
| SCHEMBL16713181 | 1.00 | — | — | |
| SCHEMBL17656022 | 1.00 | — | — | |
| SCHEMBL461794 | 0.84 | — | — | |
| SCHEMBL1234499 | 0.84 | — | — | |
| SCHEMBL7108942 | 0.84 | — | — | |
| SCHEMBL2833673 | 0.78 | TRPA1 (0.33) | — | |
| SCHEMBL5420270 | 0.78 | — | — | |
| SCHEMBL730599 | 0.78 | TRPA1 (0.33) | — | |
| SCHEMBL2833674 | 0.78 | TRPA1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3669653-A1 | AGROCHEMICAL COMPOSITION | Battelle UK Limited (GB) | 2020-06-24 | — | — | EP | disclosed |
| WO-2011030068-A1 | USE OF INDOLE DERIVATIVES AS NURR-1 ACTIVATORS FOR THE APPLICATION THEREOF AS A MEDICAMENT FOR THE TREATMENT OF PARKINSON'S DISEASE | LABORATOIRES FOURNIER SA (FR) | 2011-03-17 | — | — | WO | disclosed |