⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22761167 | 0.76 | — | — | |
| SCHEMBL3538235 | 0.71 | — | — | |
| SCHEMBL2046828 | 0.69 | — | — | |
| SCHEMBL22827234 | 0.68 | GAA (0.37) | — | |
| SCHEMBL4034561 | 0.65 | SMN1; SMN2 (0.36) | — | |
| Formamide SCHEMBL1038219 | 0.64 | KMT2A (0.33) | — | |
| SCHEMBL9885812 | 0.64 | — | — | |
| SCHEMBL7453798 | 0.62 | — | — | |
| SCHEMBL11131021 | 0.62 | — | — | |
| SCHEMBL7724563 | 0.61 | CYP1A2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110234650-A | Aryl hydrocarbon receptor (AhR) adjusts immunomodulator compounds | 菲尼克斯药品股份公司 | 2019-09-13 | — | — | CN | disclosed |
| US-7781439-B2 | Pyrazolopyrimidines | BAYER CROPSCIENCE AG (DE) | 2010-08-24 | — | — | US | disclosed |
| US-20080287463-A1 | Pyrazolopyrimidines | BAYER CROPSCIENCE AG (DE) | 2008-11-20 | — | — | US | disclosed |