⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1214656 | 0.85 | HSD17B10 (0.38) | — | |
| SCHEMBL4057504 | 0.71 | HDAC8 (0.39) | — | |
| SCHEMBL2831684 | 0.70 | CTSK (0.34) | — | |
| SCHEMBL1219001 | 0.68 | PDF (0.37) | — | |
| SCHEMBL14779147 | 0.67 | PDF (0.51) | — | |
| SCHEMBL15736879 | 0.65 | PDF (0.37) | — | |
| SCHEMBL27145161 | 0.63 | CNR2 (0.36) | — | |
| SCHEMBL21543027 | 0.63 | CNR2 (0.36) | — | |
| SCHEMBL2784044 | 0.63 | CNR2 (0.36) | — | |
| SCHEMBL28697984 | 0.61 | SMN1; SMN2 (0.38) | — |
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-2009106980-A2 | INDAZOLE DERIVATIVES | PFIZER INC. (US) | 2009-09-03 | — | — | WO | disclosed |