⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29738 | 0.77 | — | — | |
| SCHEMBL7534808 | 0.76 | — | — | |
| SCHEMBL9400728 | 0.74 | TAS2R38 (0.44) | — | |
| SCHEMBL9322657 | 0.72 | — | — | |
| SCHEMBL10940759 | 0.72 | HTT (0.53) | — | |
| SCHEMBL10940750 | 0.72 | HTT (0.53) | — | |
| Bromide SCHEMBL8587199 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3220913 | 0.72 | — | — | |
| SCHEMBL6462171 | 0.69 | TAS2R38 (0.58) | — | |
| SCHEMBL10788626 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5294352-A | Polymer alloy | WALDMANN JOHN J (US) | 1994-03-15 | — | — | US | claimed |