⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8380245 | 0.77 | — | — | |
| SCHEMBL977458 | 0.71 | — | — | |
| Ethane SCHEMBL28850831 | 0.69 | — | — | |
| SCHEMBL432577 | 0.67 | — | — | |
| SCHEMBL2349434 | 0.66 | CA12 (0.42) | — | |
| SCHEMBL5487620 | 0.65 | — | — | |
| SCHEMBL707439 | 0.64 | — | — | |
| SCHEMBL704931 | 0.64 | — | — | |
| SCHEMBL704093 | 0.62 | — | — | |
| SCHEMBL1627392 | 0.62 | NFKB1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5739201-A | CHLORINATED OR CARBOXYLATED ADDITION POLYMER, POLYESTER OR POLYURETHANE CURABLE WITH AN AMINE-PROTECTED AMINOALKYLSILOXY COMPOUND; ADHESION, HEAT RESISTANCE, POT LIFE | SUNSTAR GIKEN KABUSHIKI KAISHA (JP) | 1998-04-14 | — | — | US | disclosed |
| EP-0721001-A1 | Two-pack aqueous adhesive cross-linked by amino siloxanes | SUNSTAR GIKEN KABUSHIKI KAISHA (JP) | 1996-07-10 | — | — | EP | disclosed |