⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26986816 | 1.00 | — | — | |
| SCHEMBL3237100 | 1.00 | — | — | |
| SCHEMBL27562949 | 0.74 | — | — | |
| SCHEMBL21729585 | 0.74 | — | — | |
| SCHEMBL3232229 | 0.71 | — | — | |
| SCHEMBL283540 | 0.71 | — | — | |
| SCHEMBL283539 | 0.71 | — | — | |
| SCHEMBL9457568 | 0.71 | — | — | |
| Pimagedine SCHEMBL7941763 | 0.69 | — | — | |
| SCHEMBL23295546 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024009283-A1 | AT2 ANTAGONISTS FOR NON-ADDICTIVE PAIN RELIEF | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2024-01-11 | — | — | WO | disclosed |
| US-20140073627-A1 | BRADYKININ B1 ANTAGONISTS | EVOTEC AG (DE) | 2014-03-13 | — | — | US | disclosed |
| US-8623859-B2 | Bradykinin B1 antagonists | EVOTEC AG (DE) | 2014-01-07 | — | — | US | disclosed |
| WO-2010020556-A1 | NEW BRADYKININ B1 ANTAGONISTS | EVOTEC NEUROSCIENCES GMBH (DE) | 2010-02-25 | — | — | WO | disclosed |