⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18540756 | 0.84 | — | — | |
| SCHEMBL18540668 | 0.73 | — | — | |
| SCHEMBL18540748 | 0.70 | LRRK2 (0.30) | — | |
| SCHEMBL18538045 | 0.69 | ALOX5AP (0.31) | — | |
| SCHEMBL18527234 | 0.61 | RORC (0.31) | — | |
| SCHEMBL15341896 | 0.59 | REN (0.33) | — | |
| SCHEMBL18540669 | 0.57 | HTR1A (0.31) | — | |
| SCHEMBL21094824 | 0.57 | CES2 (0.39) | — | |
| SCHEMBL21216516 | 0.57 | RPS6KA3 (0.41) | — | |
| SCHEMBL18540670 | 0.56 | KCNH2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170050980-A1 | OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF | DENALI THERAPEUTICS, INC. | 2017-02-23 | — | — | US | disclosed |