⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL786757 | 0.73 | KDM1A (0.35) | — | |
| SCHEMBL7500475 | 0.71 | — | — | |
| SCHEMBL10197121 | 0.71 | — | — | |
| SCHEMBL24449967 | 0.71 | CHEK1 (0.34) | — | |
| SCHEMBL14012126 | 0.70 | KDM1A (0.33) | — | |
| SCHEMBL12511064 | 0.70 | KDM1A (0.33) | — | |
| SCHEMBL12190242 | 0.68 | KDM1A (0.33) | — | |
| SCHEMBL19805350 | 0.68 | KDM6B (0.42) | — | |
| SCHEMBL20341004 | 0.68 | TSHR (0.41) | — | |
| SCHEMBL2245301 | 0.67 | — | — |
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-20230382889-A1 | COMPOUNDS FOR INHIBITING KIF18A | VOLASTRA THERAPEUTICS, INC. (US) | 2023-11-30 | — | — | US | disclosed |
| US-9969726-B2 | Metabotropic glutamate receptor negative allosteric modulators (NAMS) and uses thereof | SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) | 2018-05-15 | — | — | US | disclosed |