⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21183139 | 0.84 | — | — | |
| SCHEMBL25888880 | 0.79 | — | — | |
| SCHEMBL19622597 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL20033502 | 0.78 | — | — | |
| SCHEMBL23017615 | 0.76 | — | — | |
| SCHEMBL11418750 | 0.76 | — | — | |
| SCHEMBL11418748 | 0.76 | — | — | |
| SCHEMBL22509793 | 0.76 | — | — | |
| SCHEMBL18621536 | 0.73 | — | — | |
| SCHEMBL11129199 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11028058-B2 | Heterocyclic compounds as adenosine antagonists | NUVATION BIO INC. (US) | 2021-06-08 | — | — | US | disclosed |
| US-20190023666-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) | 2019-01-24 | — | — | US | disclosed |
| WO-2018080917-A1 | FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2018-05-03 | — | — | WO | disclosed |
| WO-2018068222-A1 | THERMAL INTERFACE MATERIALS INCLUDING COLORING AGENT | HONEYWELL INTERNATIONAL INC. (US) | 2018-04-19 | — | — | WO | disclosed |