⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4200698 | 0.73 | — | — | |
| SCHEMBL8633360 | 0.73 | NOS1 (0.30) | — | |
| SCHEMBL226197 | 0.73 | NOS1 (0.30) | — | |
| SCHEMBL8080633 | 0.73 | NOS1 (0.30) | — | |
| SCHEMBL140137 | 0.73 | — | — | |
| SCHEMBL12528495 | 0.73 | NOS1 (0.30) | — | |
| SCHEMBL7643001 | 0.73 | NOS1 (0.30) | — | |
| SCHEMBL6180707 | 0.73 | NOS1 (0.30) | — | |
| SCHEMBL7554950 | 0.71 | — | — | |
| SCHEMBL7552703 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1082318-B1 | THIACROWN ETHER COMPOUND | BETZDEARBORN INC (US) | 2002-07-10 | — | — | EP | disclosed |
| US-6187227-B1 | INHIBITING THE METAL CORROSION AGAINST ACID GAS BY ADDING A STABILIZER SELECT FROM A THIACROWN ETHER COMPOUND, AN ADDITIONAL POLYMER MODIFIED BY A THIACROWN ETHER COMPOUND OR A CYCLIC POLYTHIOETHERS | BETZDEARBORN | 2001-02-13 | — | — | US | disclosed |
| US-6147225-A | Thiacrown ether compound | BETZDEARBORN INC. (US) | 2000-11-14 | — | — | US | disclosed |
| EP-0962551-A1 | Thiacrown ether compound corrosion inhibitors for alkanolamine units. | Betzdearborn Europe, Inc. (US) | 1999-12-08 | — | — | EP | disclosed |