⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1937136 | 0.74 | — | — | |
| SCHEMBL1637461 | 0.74 | — | — | |
| SCHEMBL1935587 | 0.70 | HTR2A (0.31) | — | |
| SCHEMBL1937353 | 0.70 | — | — | |
| SCHEMBL1937099 | 0.69 | — | — | |
| SCHEMBL1935531 | 0.66 | — | — | |
| SCHEMBL8535757 | 0.66 | — | — | |
| SCHEMBL1936763 | 0.66 | ADRA2C (0.41) | — | |
| SCHEMBL9076515 | 0.66 | — | — | |
| SCHEMBL5152191 | 0.64 | SLC6A2 (0.43) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110245249-A1 | Heterocyclically Substituted Anilinopyrimidines | BAYER CROPSCIENCE AG (DE) | 2011-10-06 | — | — | US | disclosed |
| CN-100396668-C | Non-imidazole aryloxypiperidines | ORTHO MCNEIL PHARM INC (US) | 2008-06-25 | — | — | CN | disclosed |
| CN-1329392-C | Substituted pyrazoles | ORTHO MCNEIL PHARM INC (US) | 2007-08-01 | — | — | CN | disclosed |
| CN-1255405-C | Substituted pyrazoles | ORTHO MCNEIL PHARM INC (US) | 2006-05-10 | — | — | CN | disclosed |
| CN-1468238-A | Substituted pyrazoles | ����-������ҩƷ��˾ | 2004-01-14 | — | — | CN | disclosed |
| CN-1468221-A | Non-imidazole aryloxypiperidines | ����-������ҩƷ��˾ | 2004-01-14 | — | — | CN | disclosed |
| CN-1468239-A | Substituted pyrazoles | ����-������ҩƷ��˾ | 2004-01-14 | — | — | CN | disclosed |
| CN-1468237-A | Substituted pyrazoles | 奥索-麦克尼尔药品公司 | 2004-01-14 | — | — | CN | disclosed |