⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL839327 | 0.70 | — | — | |
| SCHEMBL23314869 | 0.64 | — | — | |
| SCHEMBL131698 | 0.64 | — | — | |
| SCHEMBL6757524 | 0.64 | — | — | |
| SCHEMBL6939906 | 0.64 | — | — | |
| SCHEMBL12635001 | 0.64 | — | — | |
| SCHEMBL12634989 | 0.64 | — | — | |
| Bromide SCHEMBL7353025 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL8636046 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL6266685 | 0.61 | — | — |
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-2008086353-A1 | PROPARGYL-CONTAINING DERIVATIVES OF TETRAHYDRO-BENZTHIAZOLES AND METHODS OF MAKING AND USING THE SAME | ZURAWSKI VINCENT R JR (US) | 2008-07-17 | — | — | WO | disclosed |