⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9101772 | 0.83 | NOS1 (0.47) | — | |
| SCHEMBL6526606 | 0.80 | — | — | |
| SCHEMBL27890113 | 0.79 | NOS1 (0.40) | — | |
| SCHEMBL11296033 | 0.78 | — | — | |
| SCHEMBL24663737 | 0.78 | ELANE (0.45) | — | |
| SCHEMBL27890074 | 0.78 | ELANE (0.41) | — | |
| SCHEMBL7893856 | 0.77 | NOS1 (0.47) | — | |
| SCHEMBL28810223 | 0.76 | NOS1 (0.38) | — | |
| SCHEMBL948446 | 0.75 | ELANE (0.46) | — | |
| SCHEMBL1680220 | 0.75 | — | — |
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-3089970-A1 | DIHYDROPYRIDINONE AND DIHYDROPYRIDAZINONE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS | AbbVie Inc. (US) | 2016-11-09 | — | — | EP | disclosed |
| WO-2015089075-A1 | DIHYDROPYRIDINONE AND DIHYDROPYRIDAZINONE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS | ABBVIE INC. (US) | 2015-06-18 | — | — | WO | disclosed |
| US-8283358-B2 | N-sulfonamido polycyclic pyrazolyl compounds | ELAN PHARMACEUTICALS, INC. (US) | 2012-10-09 | — | — | US | disclosed |
| CN-101861321-A | Pyrrolo [2, 3 -D] pyrimidin derivatives as protein kinase B inhibitors | ASTRAZENECA AB | 2010-10-13 | — | — | CN | disclosed |
| US-20100081680-A1 | N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS | ELAN PHARMACEUTICALS, INC. | 2010-04-01 | — | — | US | disclosed |
| CN-1871208-A | Arylalkyl amines as cannabinoid receptor modulators | MERCK & CO INC (US) | 2006-11-29 | — | — | CN | disclosed |