⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2492160 | 0.87 | MAP2K7 (0.30) | — | |
| SCHEMBL17625521 | 0.82 | — | — | |
| SCHEMBL14544276 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL6420966 | 0.75 | — | — | |
| SCHEMBL17574071 | 0.74 | — | — | |
| SCHEMBL10037245 | 0.74 | — | — | |
| SCHEMBL21415345 | 0.74 | ADRB2 (0.33) | — | |
| SCHEMBL13656047 | 0.74 | — | — | |
| SCHEMBL16328983 | 0.73 | — | — | |
| SCHEMBL247006 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007084264-A2 | METHODS FOR MYOCARDIAL IMAGING | EPIX PHARMACEUTICALS, INC. (US) | 2007-07-26 | — | — | WO | disclosed |