⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9201153 | 0.83 | CNR1 (0.34) | — | |
| SCHEMBL9270055 | 0.81 | MC5R (0.40) | — | |
| SCHEMBL9198184 | 0.80 | MAPT (0.33) | — | |
| SCHEMBL8121485 | 0.79 | — | — | |
| SCHEMBL9195772 | 0.79 | EPHX1 (0.38) | — | |
| SCHEMBL9202319 | 0.77 | SLC1A5 (0.37) | — | |
| SCHEMBL9203185 | 0.76 | TDP1 (0.34) | — | |
| SCHEMBL9201213 | 0.76 | NPY1R (0.49) | — | |
| SCHEMBL9201204 | 0.76 | NPY1R (0.49) | — | |
| SCHEMBL9195784 | 0.76 | CNR1 (0.32) | — |
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-0680469-A1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | Dr. Karl Thomae GmbH (DE) | 1995-11-08 | — | — | EP | disclosed |
| WO-1994017035-A1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | DR. KARL THOMAE GMBH (DE) | 1994-08-04 | — | — | WO | disclosed |