⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6528533 | 0.78 | — | — | |
| SCHEMBL1819298 | 0.77 | OPRD1 (0.33) | — | |
| SCHEMBL28772835 | 0.71 | — | — | |
| SCHEMBL6388227 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL2652564 | 0.68 | — | — | |
| SCHEMBL2911964 | 0.67 | — | — | |
| SCHEMBL5201421 | 0.67 | — | — | |
| SCHEMBL2480825 | 0.65 | ALDH1A1 (0.49) | — | |
| SCHEMBL5205 | 0.64 | — | — | |
| SCHEMBL2749155 | 0.63 | MAPT (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2499144-A1 | QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS | UCB Pharma, S.A. (BE) | 2012-09-19 | — | — | EP | disclosed |
| EP-2465504-A1 | Novel 2,3-diamino-quinazolinone derivatives and their medical use | NeuroSearch A/S (DK) | 2012-06-20 | — | — | EP | disclosed |
| US-8178544-B2 | 2, 3-diamino-quinazolinone derivatives and their medical use | NEUROSEARCH A/S (DK) | 2012-05-15 | — | — | US | disclosed |
| WO-2011058110-A1 | QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS | UCB PHARMA S.A. (BE) | 2011-05-19 | — | — | WO | disclosed |
| US-20100160315-A1 | NOVEL 2, 3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE | NEURO SEARCH A/S (DK) | 2010-06-24 | — | — | US | disclosed |