⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13452907 | 1.00 | — | — | |
| SCHEMBL12525051 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL13275711 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL13275712 | 0.98 | — | — | |
| SCHEMBL25568221 | 0.80 | KDM4E (0.39) | — | |
| SCHEMBL2688537 | 0.78 | — | — | |
| SCHEMBL28078924 | 0.75 | OPRL1 (0.31) | — | |
| SCHEMBL5831867 | 0.74 | — | — | |
| SCHEMBL10080815 | 0.74 | — | — | |
| SCHEMBL5831726 | 0.72 | ALOX15 (0.32) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140121196-A1 | DISPIROPYRROLIDINE DERIVATIVES | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2014-05-01 | — | — | US | disclosed |
| 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 |
| US-20100173888-A1 | Nicotinamide Derivatives | PFIZER INC | 2010-07-08 | — | — | US | 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 |
| WO-2009153720-A1 | NICOTINAMIDE DERIVATIVES | PFIZER LIMITED (GB) | 2009-12-23 | — | — | WO | disclosed |