⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9203185 | 0.91 | TDP1 (0.34) | — | |
| SCHEMBL9196808 | 0.88 | MAPT (0.33) | — | |
| SCHEMBL8122914 | 0.83 | NPY1R (0.34) | — | |
| SCHEMBL9199475 | 0.82 | KMT2A (0.36) | — | |
| SCHEMBL9196838 | 0.81 | TDP1 (0.37) | — | |
| SCHEMBL9194668 | 0.80 | TDP1 (0.39) | — | |
| SCHEMBL9198354 | 0.79 | KMT2A (0.32) | — | |
| SCHEMBL9195383 | 0.78 | NR3C2 (0.35) | — | |
| SCHEMBL9195755 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL9201326 | 0.77 | ALDH1A1 (0.37) | — |
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 |