⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8120680 | 0.84 | CNR1 (0.36) | — | |
| SCHEMBL8126911 | 0.83 | NPY1R (0.39) | — | |
| SCHEMBL8119825 | 0.82 | MC5R (0.43) | — | |
| SCHEMBL8112170 | 0.81 | CNR1 (0.35) | — | |
| SCHEMBL8112501 | 0.80 | KMT2A (0.38) | — | |
| SCHEMBL9201208 | 0.79 | — | — | |
| SCHEMBL8119518 | 0.79 | EPOR (0.37) | — | |
| SCHEMBL8119581 | 0.78 | NPY1R (0.40) | — | |
| SCHEMBL8111576 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL8120062 | 0.77 | PADI4 (0.31) | — |
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-0680469-B1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | BOEHRINGER INGELHEIM PHARMA (DE) | 2000-04-26 | — | — | EP | disclosed |