⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18995286 | 0.78 | — | — | |
| SCHEMBL19338318 | 0.78 | — | — | |
| SCHEMBL15893898 | 0.78 | — | — | |
| SCHEMBL3334034 | 0.76 | — | — | |
| SCHEMBL22253150 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL20667261 | 0.74 | MAP2K1 (0.30) | — | |
| SCHEMBL22255180 | 0.74 | MAP2K1 (0.30) | — | |
| SCHEMBL5986534 | 0.74 | CYP1A2 (0.31) | — | |
| SCHEMBL4474074 | 0.72 | TDP1 (0.35) | — | |
| SCHEMBL22635868 | 0.72 | ATM (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020150674-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | NUVATION BIO INC. (US) | 2020-07-23 | — | — | WO | disclosed |