⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2892531 | 0.82 | — | — | |
| SCHEMBL2894041 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL27843088 | 0.79 | KCNH2 (0.38) | — | |
| SCHEMBL4655477 | 0.79 | KCNH2 (0.38) | — | |
| SCHEMBL6123240 | 0.77 | — | — | |
| SCHEMBL11302086 | 0.74 | GNAI3 (0.53) | — | |
| SCHEMBL7041937 | 0.72 | GNAI3 (0.56) | — | |
| SCHEMBL4173882 | 0.70 | — | — | |
| SCHEMBL19121629 | 0.69 | KCNH2 (0.52) | — | |
| SCHEMBL6645072 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2895204-B1 | COMPOSITIONS TARGETING BRADYKININ RECEPTOR B1 FOR MEDICAL IMAGING OF CANCER AND OTHER DISORDERS | PROVINCIAL HEALTH SERVICES AUTHORITY (CA) | 2020-10-21 | — | — | EP | disclosed |