⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27294991 | 0.92 | — | — | |
| SCHEMBL1632482 | 0.84 | — | — | |
| SCHEMBL4481218 | 0.80 | — | — | |
| SCHEMBL3071574 | 0.67 | TSHR (0.42) | — | |
| SCHEMBL2007501 | 0.65 | — | — | |
| SCHEMBL4141535 | 0.64 | TSHR (0.39) | — | |
| SCHEMBL4996500 | 0.62 | — | — | |
| SCHEMBL2009272 | 0.62 | — | — | |
| SCHEMBL25667548 | 0.62 | — | — | |
| SCHEMBL3371218 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1039600-A | The acetal copolymers that bromo functional groups is arranged on the main chain | HOECHST CELANESE CORP (US) | 1990-02-14 | — | — | CN | claimed |
| 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-1980896-A | Scalable synthesis of imidazole derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2007-06-13 | — | — | CN | disclosed |
| CN-1255405-C | Substituted pyrazoles | ORTHO MCNEIL PHARM INC (US) | 2006-05-10 | — | — | CN | disclosed |
| CN-1694703-A | Use of indolyl derivatives for the manufacture of a medicament for the treatment allergic rhinitis | JANSSEN PHARMACEUTICA NV (BE) | 2005-11-09 | — | — | CN | disclosed |
| CN-1468237-A | Substituted pyrazoles | 奥索-麦克尼尔药品公司 | 2004-01-14 | — | — | CN | disclosed |
| CN-1468239-A | Substituted pyrazoles | ����-������ҩƷ��˾ | 2004-01-14 | — | — | CN | disclosed |
| CN-1468221-A | Non-imidazole aryloxypiperidines | ����-������ҩƷ��˾ | 2004-01-14 | — | — | CN | disclosed |
| CN-1468238-A | Substituted pyrazoles | ����-������ҩƷ��˾ | 2004-01-14 | — | — | CN | disclosed |