⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2339 | 0.89 | — | — | |
| SCHEMBL23044067 | 0.89 | — | — | |
| Fluoride SCHEMBL27337172 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL25019 | 0.80 | — | — | |
| SCHEMBL27512665 | 0.80 | — | — | |
| Water SCHEMBL25365379 | 0.80 | — | — | |
| Bromide SCHEMBL27827082 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL9799153 | 0.80 | — | — | |
| SCHEMBL28031481 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL27474265 | 0.80 | — | — |
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-104955819-B | N- (2- (cyclammonium) ethyl) heterocyclic carbamate derivatives as P2X7 inhibitor | H.隆德贝克有限公司 | 2018-06-19 | — | — | CN | disclosed |