⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10005749 | 1.00 | — | — | |
| SCHEMBL10291880 | 1.00 | — | — | |
| SCHEMBL2910517 | 0.85 | TRPA1 (0.35) | — | |
| SCHEMBL15942196 | 0.83 | TRPA1 (0.36) | — | |
| SCHEMBL10162372 | 0.83 | TRPA1 (0.36) | — | |
| SCHEMBL1270431 | 0.83 | TRPA1 (0.36) | — | |
| SCHEMBL758774 | 0.83 | LMNA (0.33) | — | |
| SCHEMBL14051008 | 0.80 | TRPA1 (0.40) | — | |
| SCHEMBL5613975 | 0.78 | — | — | |
| SCHEMBL1167455 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020264495-A1 | COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS | SAGE THERAPEUTICS, INC. (US) | 2020-12-30 | — | — | WO | disclosed |
| WO-2008063670-A1 | HETEROBICYCLIC MATRIX METALLOPROTEASE INHIBITORS | ALANTOS PHARMACEUTICALS HOLDING, INC. (US) | 2008-05-29 | — | — | WO | disclosed |