⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5052392 | 0.74 | ABCB11 (0.31) | — | |
| Lithium Ion SCHEMBL7564009 | 0.72 | — | — | |
| SCHEMBL6506321 | 0.63 | — | — | |
| SCHEMBL9689080 | 0.59 | — | — | |
| SCHEMBL6287135 | 0.59 | ALDH1A1 (0.32) | — | |
| SCHEMBL588310 | 0.58 | — | — | |
| SCHEMBL12615001 | 0.58 | NOS2 (0.33) | — | |
| SCHEMBL9565380 | 0.58 | CYP2D6 (0.32) | — | |
| SCHEMBL27942156 | 0.57 | — | — | |
| SCHEMBL19169915 | 0.57 | — | — |
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-0472220-A1 | Bradykinin antagonists | SYNTEX (U.S.A.) INC. (US) | 1992-02-26 | — | — | EP | disclosed |