⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7302488 | 0.92 | — | — | |
| SCHEMBL945428 | 0.86 | — | — | |
| SCHEMBL4158070 | 0.77 | — | — | |
| SCHEMBL946850 | 0.74 | — | — | |
| SCHEMBL4080897 | 0.74 | — | — | |
| SCHEMBL2786900 | 0.74 | — | — | |
| SCHEMBL6465512 | 0.72 | — | — | |
| SCHEMBL873997 | 0.72 | — | — | |
| SCHEMBL1055705 | 0.72 | — | — | |
| SCHEMBL1302797 | 0.70 | AR (0.36) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049502-B1 | 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS | NOVARTIS AG (CH) | 2012-01-04 | — | — | EP | claimed |
| JP-2011524893-A | — | — | 2011-09-08 | — | — | JP | claimed |
| EP-2307377-A1 | NICOTINAMIDE DERIVATIVES | Pfizer Limited (GB) | 2011-04-13 | — | — | EP | claimed |
| US-20100173888-A1 | Nicotinamide Derivatives | PFIZER INC | 2010-07-08 | — | — | US | claimed |
| WO-2009153720-A1 | NICOTINAMIDE DERIVATIVES | PFIZER LIMITED (GB) | 2009-12-23 | — | — | WO | claimed |
| EP-2307377-A1 | NICOTINAMIDE DERIVATIVES | Pfizer Limited (GB) | 2011-04-13 | — | — | EP | disclosed |
| US-20100173888-A1 | Nicotinamide Derivatives | PFIZER INC | 2010-07-08 | — | — | US | disclosed |
| WO-2009153720-A1 | NICOTINAMIDE DERIVATIVES | PFIZER LIMITED (GB) | 2009-12-23 | — | — | WO | disclosed |
| EP-1919907-A2 | HETEROCYCLIC COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007026959-A2 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | WO | disclosed |