⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1965670 | 0.97 | MAOA (0.43) | — | |
| Hydrochloric Acid SCHEMBL1355107 | 0.95 | MAOA (0.42) | — | |
| SCHEMBL4975898 | 0.95 | — | — | |
| SCHEMBL1744522 | 0.89 | — | — | |
| SCHEMBL22054129 | 0.81 | MAOB (0.40) | — | |
| SCHEMBL3631046 | 0.80 | MAOB (0.46) | — | |
| SCHEMBL20851289 | 0.80 | BTK (0.41) | — | |
| SCHEMBL25784227 | 0.78 | MAOA (0.41) | — | |
| SCHEMBL27483239 | 0.78 | GNAI3 (0.46) | — | |
| Hydrochloric Acid SCHEMBL30639431 | 0.77 | GNAI3 (0.48) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3091019-B1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN KETTERING INST CANCER RES (US) | 2019-04-03 | — | — | EP | claimed |
| WO-2016105448-A1 | IMIDAZOLINE RECEPTOR TYPE 1 LIGANDS FOR USE AS THERAPEUTICS | RIDEOUT DARRYL (US) | 2016-06-30 | — | — | WO | disclosed |
| US-20110143939-A1 | QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE | BAYER CROPSCIENCE AG (DE) | 2011-06-16 | — | — | US | disclosed |
| CN-1949966-B | Quinoxalin-2-one derivatives, crop protection agents comprising the same and method for production and use therof | BAYER CROPSCIENCE GMBH | 2010-05-26 | — | — | CN | disclosed |
| US-7332509-B2 | Heterocyclic amides, a process for their preparation, compositions comprising them and their use | MERIAL LIMITED (US) | 2008-02-19 | — | — | US | disclosed |
| CN-1949966-A | Quinoxalin-2-one derivatives, crop protection agents comprising the same and method for production and use therof | BAYER CROPSCIENCE GMBH (DE) | 2007-04-18 | — | — | CN | disclosed |
| US-20060173022-A1 | Heterocyclic amides, method for the production thereof, substances containing said heterocyclic amides, and use thereof as pesticides | BAYER CROPSCIENCE GMBH (DE) | 2006-08-03 | — | — | US | disclosed |
| US-20050256000-A1 | Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use | BAYER CROPSCIENCE GMBH (DE) | 2005-11-17 | — | — | US | disclosed |
| US-20040006047-A1 | Heterocyclic amides, a process for their preparation, compositions comprising them and their use | MERIAL LIMITED | 2004-01-08 | — | — | US | disclosed |