⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18317244 | 0.84 | PAX8 (0.33) | — | |
| SCHEMBL18317241 | 0.84 | HTR2C (0.33) | — | |
| SCHEMBL2870866 | 0.84 | — | — | |
| SCHEMBL28262279 | 0.80 | MAOA (0.41) | — | |
| SCHEMBL23064610 | 0.79 | NOTUM (0.41) | — | |
| SCHEMBL18317730 | 0.78 | KDM1A (0.33) | — | |
| SCHEMBL18317233 | 0.75 | FAAH (0.30) | — | |
| SCHEMBL17200853 | 0.72 | MEN1 (0.39) | — | |
| SCHEMBL17200836 | 0.72 | MEN1 (0.39) | — | |
| SCHEMBL21038405 | 0.72 | HTR2C (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9812652-B2 | Cyclic azine compound having adamantyl group, production method, and organic electroluminescent device containing it as constituent component | TOSOH CORPORATION (JP) | 2017-11-07 | — | — | US | disclosed |
| US-20160372678-A1 | CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT | TOSOH CORPORATION (JP) | 2016-12-22 | — | — | US | disclosed |