⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10957198 | 0.78 | CYP1A2 (0.44) | — | |
| SCHEMBL10959740 | 0.78 | CYP1A2 (0.44) | — | |
| SCHEMBL888653 | 0.74 | — | — | |
| SCHEMBL12570015 | 0.74 | — | — | |
| SCHEMBL6820045 | 0.74 | CYP1A2 (0.46) | — | |
| SCHEMBL2108553 | 0.74 | CYP1A2 (0.40) | — | |
| SCHEMBL28276606 | 0.74 | CYP1A2 (0.40) | — | |
| SCHEMBL20996999 | 0.72 | CYP1A2 (0.39) | — | |
| SCHEMBL28029054 | 0.72 | — | — | |
| SCHEMBL6722541 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3102568-A1 | BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS | Heptares Therapeutics Limited (GB) | 2016-12-14 | — | — | EP | disclosed |
| WO-2015118342-A1 | BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. | HEPTARES THERAPEUTICS LIMITED (GB) | 2015-08-13 | — | — | WO | disclosed |
| EP-2616459-A1 | PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS I | BASF SE (DE) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012034961-A1 | PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS I | BASF SE (DE) | 2012-03-22 | — | — | WO | disclosed |
| CN-1041629-C | Pyrrole thiocarboxamide insecticidal and acaricidal agents | AMERICAN CYANAMID CO (US) | 1999-01-13 | — | — | CN | disclosed |
| CN-1090574-A | Pyrrole thiocarboxamide insecticidal and miticide | AMERICAN CYANAMID CO (US) | 1994-08-10 | — | — | CN | disclosed |