⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL571281 | 0.71 | — | — | |
| SCHEMBL571282 | 0.71 | — | — | |
| SCHEMBL1003883 | 0.69 | — | — | |
| SCHEMBL1003884 | 0.69 | — | — | |
| SCHEMBL15124992 | 0.69 | CA1 (0.30) | — | |
| SCHEMBL6977352 | 0.65 | — | — | |
| SCHEMBL19736143 | 0.63 | TSHR (0.31) | — | |
| SCHEMBL28188329 | 0.63 | TSHR (0.31) | — | |
| SCHEMBL4194769 | 0.63 | — | — | |
| SCHEMBL2469835 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104854087-B | Indole carboxamide derivatives as P2X receptor antagonists | 埃科特莱茵药品有限公司 | 2017-03-22 | — | — | CN | disclosed |
| CN-104812749-B | Indolecarboxamide derivant as P2X7 receptor antagonist | 埃科特莱茵药品有限公司 | 2016-12-14 | — | — | CN | disclosed |
| CN-104854087-A | As P2X7Indole carboxamide derivatives of receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2015-08-19 | — | — | CN | disclosed |
| CN-104812749-A | Iindole carboxamide derivatives as p2x7 receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2015-07-29 | — | — | CN | disclosed |