⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL201560 | 0.93 | AKR1C3 (0.33) | — | |
| SCHEMBL22729289 | 0.76 | — | — | |
| SCHEMBL22729270 | 0.72 | — | — | |
| SCHEMBL22729271 | 0.70 | — | — | |
| SCHEMBL25999 | 0.70 | — | — | |
| SCHEMBL7800136 | 0.67 | ACVRL1 (0.33) | — | |
| SCHEMBL22729302 | 0.65 | NOS3 (0.31) | — | |
| SCHEMBL5912216 | 0.65 | — | — | |
| SCHEMBL5912212 | 0.65 | — | — | |
| SCHEMBL27050701 | 0.65 | AKR1C3 (0.35) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070255064-A1 | Imidazolium-Methyl Sulfites for Use as Starting Compounds for Producing Ionic Liquids | BASF AKTIENGESELLSCHAFT (DE) | 2007-11-01 | — | — | US | disclosed |
| CN-101006062-A | Imidazolium-methyl sulfites for use as starting compounds for producing ionic liquids | BASF AG (DE) | 2007-07-25 | — | — | CN | disclosed |
| EP-0495752-B1 | Bisacylphosphine sulfide | CIBA GEIGY AG (CH) | 1995-03-01 | — | — | EP | disclosed |
| US-5368985-A | Photoinitiators for addition polymerization | CIBA-GEIGY CORPORATION (US) | 1994-11-29 | — | — | US | disclosed |
| EP-0495751-A1 | Bisacylphosphines | CIBA-GEIGY AG (CH) | 1992-07-22 | — | — | EP | disclosed |
| EP-0495752-A1 | Bisacylphosphine sulfide | CIBA-GEIGY AG (CH) | 1992-07-22 | — | — | EP | disclosed |