⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7988845 | 0.86 | — | — | |
| SCHEMBL7988714 | 0.83 | KDM4E (0.40) | — | |
| SCHEMBL7989442 | 0.82 | CTSK (0.30) | — | |
| SCHEMBL7975249 | 0.77 | HRH3 (0.30) | — | |
| SCHEMBL7988238 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL7975933 | 0.75 | S1PR3 (0.30) | — | |
| SCHEMBL7989518 | 0.74 | CYP1A2 (0.41) | — | |
| SCHEMBL7986794 | 0.72 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL7992358 | 0.70 | HPGD (0.44) | — | |
| SCHEMBL7975771 | 0.70 | CA1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6265418-B1 | ANTICOAGULANTS | UBE INDUSTRIES, LTD. (JP) | 2001-07-24 | — | — | US | disclosed |
| EP-1020467-A1 | N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF | UBE INDUSTRIES LIMITED (JP) | 2000-07-19 | — | — | EP | disclosed |