⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28041724 | 0.92 | — | — | |
| SCHEMBL28041748 | 0.87 | TSHR (0.31) | — | |
| SCHEMBL28041747 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL28041553 | 0.84 | CYP1A2 (0.33) | — | |
| SCHEMBL28041745 | 0.84 | CES2 (0.37) | — | |
| SCHEMBL28041531 | 0.84 | ADRB2 (0.40) | — | |
| SCHEMBL28041741 | 0.84 | ADRB2 (0.40) | — | |
| SCHEMBL28823849 | 0.83 | TRPA1 (0.34) | — | |
| SCHEMBL28823976 | 0.83 | — | — | |
| SCHEMBL27664743 | 0.80 | RIPK1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105209027-A | Phenylalkylcarbamate compounds for use in the prevention or treatment of epilepsy and epilepsy-related syndromes | BIO PHARM SOLUTIONS CO LTD | 2015-12-30 | — | — | CN | disclosed |