⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6907900 | 0.79 | — | — | |
| SCHEMBL2462839 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL2903160 | 0.73 | — | — | |
| SCHEMBL3807307 | 0.71 | ALDH1A1 (0.42) | — | |
| SCHEMBL7795606 | 0.71 | ALDH1A1 (0.42) | — | |
| SCHEMBL526487 | 0.71 | — | — | |
| SCHEMBL8935220 | 0.69 | — | — | |
| SCHEMBL9816 | 0.69 | — | — | |
| SCHEMBL14128804 | 0.69 | — | — | |
| SCHEMBL14128211 | 0.69 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6653305-B2 | For therapy of tumoral diseases, diseases of the lungs and respiratory tract | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-11-25 | — | — | US | claimed |
| US-20020077330-A1 | Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-06-20 | — | — | US | claimed |
| US-20140179921-A1 | CHEMICAL COMPOUNDS | SYNGENTA CROP PROTECTION LLC (US) | 2014-06-26 | — | — | US | disclosed |
| US-20130197029-A1 | CHEMICAL COMPOUNDS | SYNGENTA CROP PROTECTION LLC (US) | 2013-08-01 | — | — | US | disclosed |
| US-8338443-B2 | Chemical compounds | SYNGENTA CROP PROTECTION LLC (US) | 2012-12-25 | — | — | US | disclosed |
| US-20090118295-A1 | CHEMICAL COMPOUNDS | SYNGENTA CROP PROTECTION, INC (US) | 2009-05-07 | — | — | US | disclosed |
| US-6653305-B2 | For therapy of tumoral diseases, diseases of the lungs and respiratory tract | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-11-25 | — | — | US | disclosed |
| US-6653305-B2 | For therapy of tumoral diseases, diseases of the lungs and respiratory tract | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-11-25 | — | — | US | disclosed |
| US-20020077330-A1 | Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-06-20 | — | — | US | disclosed |
| US-20020077330-A1 | Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-06-20 | — | — | US | disclosed |
| US-6340681-B1 | USEFUL AS ANALGESICS IN MAMMALS | PFIZER INC | 2002-01-22 | — | — | US | disclosed |