⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21613913 | 0.77 | ALDH5A1 (0.32) | — | |
| SCHEMBL21893465 | 0.75 | — | — | |
| SCHEMBL14081674 | 0.68 | MAPT (0.32) | — | |
| SCHEMBL23912108 | 0.65 | TSHR (0.46) | — | |
| SCHEMBL20759211 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL20182666 | 0.62 | ALDH1A1 (0.42) | — | |
| SCHEMBL14024216 | 0.61 | MAPT (0.50) | — | |
| SCHEMBL18598198 | 0.61 | TSHR (0.39) | — | |
| SCHEMBL14642359 | 0.61 | MAPT (0.37) | — | |
| SCHEMBL13838964 | 0.59 | TSHR (0.63) | — |
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-1307226-B1 | VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS | LANTHEUS MEDICAL IMAGING INC (US) | 2008-11-19 | — | — | EP | disclosed |