⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1120392 | 0.83 | HTR2A (0.40) | — | |
| SCHEMBL29034457 | 0.79 | — | — | |
| SCHEMBL20234694 | 0.78 | HTR2A (0.30) | — | |
| SCHEMBL9242039 | 0.74 | — | — | |
| SCHEMBL4122875 | 0.73 | — | — | |
| SCHEMBL18709684 | 0.72 | — | — | |
| SCHEMBL10036684 | 0.72 | THRB (0.36) | — | |
| SCHEMBL11422983 | 0.72 | — | — | |
| SCHEMBL22021896 | 0.70 | HTR2A (0.32) | — | |
| SCHEMBL28565081 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230098694-A1 | NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS | ITEOS BELGIUM S A (BE) | 2023-03-30 | — | — | US | disclosed |
| US-11427594-B2 | Non brain penetrant A2A inhibitors and methods for use in the treatment of cancers | iTeos Belgium SA (BE) | 2022-08-30 | — | — | US | disclosed |
| US-20200102319-A1 | NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS | iTeos Belgium SA (BE) | 2020-04-02 | — | — | US | disclosed |