⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20860369 | 0.72 | — | — | |
| SCHEMBL17703970 | 0.72 | — | — | |
| SCHEMBL8160498 | 0.70 | NOS3 (0.52) | — | |
| SCHEMBL8467145 | 0.69 | — | — | |
| SCHEMBL8151746 | 0.69 | — | — | |
| SCHEMBL25150027 | 0.67 | — | — | |
| SCHEMBL8152075 | 0.64 | NOS3 (0.45) | — | |
| SCHEMBL21036387 | 0.64 | NOS3 (0.45) | — | |
| SCHEMBL17145232 | 0.64 | NOS3 (0.45) | — | |
| SCHEMBL20650132 | 0.64 | NOS3 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3837296-A1 | ENVIRONMENTALLY FRIENDLY DRIVEN POLYURETHANE SPRAY FOAM SYSTEMS | BASF SE (DE) | 2021-06-23 | — | — | EP | disclosed |
| WO-2020035395-A1 | ENVIRONMENTALLY FRIENDLY DRIVEN POLYURETHANE SPRAY FOAM SYSTEMS | BASF SE (DE) | 2020-02-20 | — | — | WO | disclosed |
| WO-2017214112-A1 | 5'-CYCLO-PHOSPHONATE MODIFIED NUCLEOTIDES | Arrowhead Pharmaceuticals, Inc. (US) | 2017-12-14 | — | — | WO | disclosed |
| CN-101778885-B | Curable compositions composed of silanes with two hydrolyzable groups | HENKEL AG & CO KGAA | 2013-07-10 | — | — | CN | disclosed |
| US-20070197393-A1 | TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES | WITSCHEL MATTHIAS | 2007-08-23 | — | — | US | disclosed |
| US-20070197393-A1 | TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES | WITSCHEL MATTHIAS | 2007-08-23 | — | — | US | disclosed |
| US-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |
| US-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |
| US-4288564-A | POLYURETHANES; ADOSRBING NITROGEN TO ACCELERATE BLOWING PROCESS | MOBAY CHEMICAL CORPORATION (US) | 1981-09-08 | — | — | US | disclosed |
| US-4218543-A | REACTION INJECTION MOLDING | BAYER AKTIENGESELLSCHAFT (DE) | 1980-08-19 | — | — | US | disclosed |
| EP-0004640-A2 | Process for producing elastomeric mouldings | Mobay Chemical Corporation (US) | 1979-10-17 | — | — | EP | disclosed |