⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17950129 | 0.80 | — | — | |
| SCHEMBL1930807 | 0.77 | — | — | |
| Iodide SCHEMBL30684490 | 0.75 | — | — | |
| SCHEMBL21274496 | 0.72 | — | — | |
| SCHEMBL11657393 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL21222257 | 0.69 | ALDH1A1 (0.44) | — | |
| SCHEMBL24688110 | 0.69 | — | — | |
| SCHEMBL10635785 | 0.68 | ALDH1A1 (0.85) | — | |
| SCHEMBL534856 | 0.68 | ALDH1A1 (0.61) | — | |
| SCHEMBL8037782 | 0.68 | ALDH1A1 (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008132162-A1 | 3- (SULPHONYLAMINO) -PHENYL-2 -HYDROXY-ETHYLAMINO DERIVATIVES USEFUL AS BETA-AGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-11-06 | — | — | WO | claimed |
| EP-3247705-B1 | QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF AS NAMPT INHIBITORS | MILLENNIUM PHARM INC (US) | 2019-11-20 | — | — | EP | disclosed |
| US-10323018-B2 | Quinazoline and quinoline compounds and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2019-06-18 | — | — | US | disclosed |
| WO-2016118565-A1 | QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2016-07-28 | — | — | WO | disclosed |
| WO-2008132162-A1 | 3- (SULPHONYLAMINO) -PHENYL-2 -HYDROXY-ETHYLAMINO DERIVATIVES USEFUL AS BETA-AGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-11-06 | — | — | WO | disclosed |