⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2723133 | 0.78 | — | — | |
| SCHEMBL1072436 | 0.78 | — | — | |
| SCHEMBL1072438 | 0.78 | — | — | |
| SCHEMBL23355973 | 0.76 | — | — | |
| SCHEMBL11795310 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL11799624 | 0.76 | — | — | |
| SCHEMBL16664626 | 0.72 | — | — | |
| SCHEMBL16716058 | 0.70 | — | — | |
| SCHEMBL9429335 | 0.70 | — | — | |
| SCHEMBL8569989 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012059869-A1 | GPR17-MODULATING COMPOUNDS, DIAGNOSTIC AND THERAPEUTIC USES THEREOF | UNIVERSITA' DEGLI STUDI DI MILANO (IT) | 2012-05-10 | — | — | WO | disclosed |