⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20183116 | 0.76 | TAS1R3 (0.30) | — | |
| SCHEMBL24338279 | 0.69 | — | — | |
| SCHEMBL11523628 | 0.68 | PLA2G2C (0.39) | — | |
| SCHEMBL11525696 | 0.67 | CYP2C9 (0.41) | — | |
| SCHEMBL22648329 | 0.62 | DPP7 (0.38) | — | |
| SCHEMBL16770486 | 0.61 | — | — | |
| SCHEMBL23009079 | 0.61 | CTSK (0.51) | — | |
| SCHEMBL17298935 | 0.61 | TDP1 (0.32) | — | |
| SCHEMBL10417269 | 0.60 | CTSK (0.40) | — | |
| SCHEMBL9418800 | 0.59 | — | — |
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-2018094227-A1 | ALKYL PYRROLOPYRIMIDINE ANALOGS AND METHODS OF MAKING AND USING SAME | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2018-05-24 | — | — | WO | disclosed |