⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6097049 | 1.00 | — | — | |
| SCHEMBL1629962 | 1.00 | — | — | |
| SCHEMBL771599 | 0.93 | CHRM2 (0.45) | — | |
| SCHEMBL3746636 | 0.86 | — | — | |
| SCHEMBL3837925 | 0.77 | DPP4 (0.42) | — | |
| SCHEMBL27764348 | 0.77 | DPP4 (0.42) | — | |
| SCHEMBL6097746 | 0.77 | RIPK1 (0.50) | — | |
| SCHEMBL3863785 | 0.77 | TSHR (0.45) | — | |
| SCHEMBL27937090 | 0.77 | EPHX2 (0.41) | — | |
| SCHEMBL419842 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7122580-B2 | Aryl and heteroaryl compounds and methods to modulate coagulation | TRANSTECH PHARMA, INC. (US) | 2006-10-17 | — | — | US | claimed |
| EP-1546089-A2 | ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION | TransTech Pharma Inc. (US) | 2005-06-29 | — | — | EP | claimed |
| US-20040110832-A1 | management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc | TRANSTECH PHARMA, LLC | 2004-06-10 | — | — | US | claimed |
| WO-2004014844-A2 | ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION | TRANSTECH PHARMA, INC. (US) | 2004-02-19 | — | — | WO | claimed |
| CN-101535299-B | 5-lipoxygenase-activating protein (flap) inhibitors | PANMIRA PHARMACEUTICALS LLC | 2013-09-25 | — | — | CN | disclosed |