⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3554595 | 0.92 | — | — | |
| SCHEMBL522905 | 0.82 | ALOX15 (0.32) | — | |
| SCHEMBL3289251 | 0.80 | — | — | |
| SCHEMBL8656114 | 0.77 | — | — | |
| SCHEMBL372272 | 0.77 | SIGMAR1 (0.33) | — | |
| SCHEMBL1394896 | 0.76 | CYP3A4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL20474339 | 0.75 | ATM (0.36) | — | |
| SCHEMBL372303 | 0.75 | SIGMAR1 (0.36) | — | |
| SCHEMBL18426938 | 0.73 | MAPT (0.36) | — | |
| SCHEMBL861779 | 0.73 | HTT (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1664053-B1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AMGEN INC (US) | 2007-01-24 | — | — | EP | disclosed |
| US-6156752-A | Optically active 1,4-dihydropyridine compounds as bradykinin antagonists | PFIZER INC (US) | 2000-12-05 | — | — | US | disclosed |