⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17791681 | 0.95 | CYP2C19 (0.56) | — | |
| SCHEMBL1164262 | 0.92 | CYP2C19 (0.60) | — | |
| SCHEMBL10641493 | 0.89 | — | — | |
| SCHEMBL27504849 | 0.78 | CYP2C19 (0.35) | — | |
| SCHEMBL22341304 | 0.78 | CYP2C19 (0.35) | — | |
| SCHEMBL27522485 | 0.78 | CYP2C19 (0.35) | — | |
| SCHEMBL11699716 | 0.76 | CYP2C19 (0.41) | — | |
| SCHEMBL13898741 | 0.76 | — | — | |
| SCHEMBL6273845 | 0.75 | TBXAS1 (0.42) | — | |
| SCHEMBL22341255 | 0.75 | ALDH1A1 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2903979-B1 | NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES | INHIBIKASE THERAPEUTICS INC (US) | 2020-08-19 | — | — | EP | claimed |
| US-9359376-B2 | Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds | SPHAERA PHARMA PTE. LTD (SG) | 2016-06-07 | — | — | US | claimed |
| WO-2015073763-A1 | SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-05-21 | — | — | WO | disclosed |