⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL11392898 | 0.63 | TSHR (0.50) | — | |
| SCHEMBL13243340 | 0.62 | ACHE (0.42) | — | |
| SCHEMBL1124751 | 0.62 | ALDH5A1 (0.52) | — | |
| SCHEMBL3839778 | 0.62 | ACHE (0.42) | — | |
| SCHEMBL24197429 | 0.59 | HDAC8 (0.56) | — | |
| SCHEMBL19411066 | 0.59 | ERN1 (0.54) | — | |
| SCHEMBL4666339 | 0.59 | PRSS1 (0.46) | — | |
| SCHEMBL19985855 | 0.58 | ACHE (0.37) | — | |
| SCHEMBL18232222 | 0.58 | EGFR (0.46) | — | |
| SCHEMBL10705397 | 0.58 | KDM4E (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009085040-A1 | PROTEIN KINASE INHIBITORS | DCB-USA LLC (US) | 2009-07-09 | — | — | WO | disclosed |
| US-20090163494-A1 | PROTEIN KINASE INHIBITORS | DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) | 2009-06-25 | — | — | US | disclosed |