⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1132253 | 0.70 | — | — | |
| SCHEMBL13104755 | 0.70 | — | — | |
| SCHEMBL6839719 | 0.70 | — | — | |
| SCHEMBL682658 | 0.69 | — | — | |
| SCHEMBL25761545 | 0.69 | — | — | |
| SCHEMBL3848026 | 0.69 | — | — | |
| SCHEMBL16000790 | 0.69 | GRM5 (0.31) | — | |
| SCHEMBL25393222 | 0.69 | — | — | |
| SCHEMBL6835552 | 0.67 | FAAH (0.36) | — | |
| SCHEMBL25596646 | 0.67 | IGF1R (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220119367-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | INTEGRAL BIOSCIENCES PVT. LTD. (IN) | 2022-04-21 | — | — | US | disclosed |