⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11300457 | 1.00 | — | — | |
| SCHEMBL27280308 | 1.00 | — | — | |
| SCHEMBL11162704 | 0.88 | — | — | |
| SCHEMBL264785 | 0.82 | — | — | |
| SCHEMBL1335734 | 0.82 | — | — | |
| SCHEMBL2216251 | 0.82 | — | — | |
| Bromide SCHEMBL8413149 | 0.80 | — | — | |
| SCHEMBL31281037 | 0.80 | — | — | |
| SCHEMBL1765713 | 0.80 | — | — | |
| SCHEMBL7125966 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3519470-B1 | PHOSPHAGUANIDINE GROUP IV METAL OLEFIN POLYMERIZATION CATALYSTS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2020-10-21 | — | — | EP | disclosed |
| US-7855292-B2 | Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics | JANSSEN PHARMACEUTICA NV (BE) | 2010-12-21 | — | — | US | disclosed |
| US-20100292240-A1 | SULFONAMIDE COMPOUNDS | JANSSEN PHARMACEUTICA NV (BE) | 2010-11-18 | — | — | US | disclosed |
| US-20080132511-A1 | Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics | JANSSEN PHARMACEUTICA NV (BE) | 2008-06-05 | — | — | US | disclosed |