⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1133130 | 0.80 | — | — | |
| SCHEMBL1458933 | 0.75 | DHFR (0.38) | — | |
| SCHEMBL19370233 | 0.72 | GAA (0.33) | — | |
| SCHEMBL6760575 | 0.70 | — | — | |
| SCHEMBL1457811 | 0.69 | — | — | |
| SCHEMBL25660417 | 0.68 | CYP1A2 (0.30) | — | |
| SCHEMBL18627452 | 0.68 | — | — | |
| SCHEMBL14478045 | 0.68 | — | — | |
| SCHEMBL23188098 | 0.65 | — | — | |
| SCHEMBL10110813 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021222404-A1 | IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 | JANSSEN BIOTECH, INC. (US) | 2021-11-04 | — | — | WO | disclosed |
| US-9828377-B2 | Heterocyclic compounds and uses thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2017-11-28 | — | — | US | disclosed |
| US-8129415-B2 | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE AG (DE) | 2012-03-06 | — | — | US | disclosed |
| US-20090192196-A1 | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE AG (DE) | 2009-07-30 | — | — | US | disclosed |