⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL40333 | 0.98 | — | — | |
| Bromide SCHEMBL29636344 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL4714462 | 0.95 | — | — | |
| SCHEMBL28747765 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL4713523 | 0.95 | HCAR2 (0.95) | — | |
| SCHEMBL32678651 | 0.95 | — | — | |
| SCHEMBL31557609 | 0.95 | — | — | |
| SCHEMBL32678652 | 0.95 | — | — | |
| SCHEMBL16180186 | 0.95 | — | — | |
| Fluoromethane SCHEMBL28844884 | 0.91 | HCAR2 (0.87) | — |
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-106715419-A | Aminotriazine derivatives as TANK-binding kinase inhibitor compounds | 吉利德科学公司 | 2017-05-24 | — | — | CN | disclosed |