⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7863913 | 0.77 | — | — | |
| SCHEMBL11204404 | 0.73 | — | — | |
| SCHEMBL6478439 | 0.73 | — | — | |
| SCHEMBL26258117 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL6441726 | 0.67 | — | — | |
| SCHEMBL11335034 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL7153465 | 0.65 | — | — | |
| SCHEMBL4429855 | 0.65 | — | — | |
| Dichloropropane SCHEMBL11483811 | 0.65 | — | — | |
| SCHEMBL11179541 | 0.65 | — | — |
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-1982001559-A1 | ACCELERATED INHIBITED PLATINUM-CATALYZED ORGANOSILICON COMPOSITIONS | DOW CORNING (US) | 1982-05-13 | — | — | WO | claimed |