⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1199503 | 0.88 | NCF1 (0.52) | — | |
| SCHEMBL9996655 | 0.86 | NCF1 (0.41) | — | |
| SCHEMBL4383953 | 0.86 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL2385653 | 0.81 | — | — | |
| SCHEMBL1795002 | 0.80 | — | — | |
| SCHEMBL23251417 | 0.78 | — | — | |
| SCHEMBL13479302 | 0.78 | — | — | |
| SCHEMBL255098 | 0.78 | — | — | |
| SCHEMBL1108984 | 0.76 | — | — | |
| SCHEMBL14222488 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8895565-B2 | Heterocyclic compound and use of the same | NISHIO TETSUYA (JP) | 2014-11-25 | — | — | US | disclosed |
| US-20110319618-A1 | HETEROCYCLIC COMPOUND AND USE OF THE SAME | NISHIO TETSUYA (JP) | 2011-12-29 | — | — | US | disclosed |