⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16854930 | 0.86 | TMEM97 (0.36) | — | |
| SCHEMBL18253969 | 0.79 | KIF11 (0.35) | — | |
| SCHEMBL16624090 | 0.77 | ACACB (0.43) | — | |
| SCHEMBL18256758 | 0.71 | SLC6A4 (0.35) | — | |
| SCHEMBL18253962 | 0.69 | CHRNB2 (0.37) | — | |
| SCHEMBL16624010 | 0.68 | HTR1A (0.45) | — | |
| SCHEMBL18033538 | 0.67 | SLC6A2 (0.47) | — | |
| SCHEMBL16624039 | 0.67 | DRD1 (0.39) | — | |
| SCHEMBL17993844 | 0.67 | SLC6A2 (0.44) | — | |
| SCHEMBL16624030 | 0.67 | SLC6A4 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015093534-A1 | SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR | 日産化学工業株式会社 | 2015-06-25 | — | — | WO | disclosed |