⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13737596 | 0.95 | — | — | |
| SCHEMBL13736291 | 0.87 | — | — | |
| SCHEMBL13735740 | 0.83 | — | — | |
| SCHEMBL13737371 | 0.83 | — | — | |
| SCHEMBL11002293 | 0.80 | — | — | |
| SCHEMBL13735734 | 0.77 | — | — | |
| SCHEMBL15304331 | 0.74 | — | — | |
| SCHEMBL20741447 | 0.74 | — | — | |
| SCHEMBL7317756 | 0.74 | — | — | |
| SCHEMBL45446 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1387862-B1 | POLYMER ADDITIVES WITH IMPROVED PERMANENCE AND SURFACE AFFINITY | BASF SE (DE) | 2014-10-22 | — | — | EP | disclosed |
| WO-2009016046-A2 | SUNLESS TANNING COMPOSITIONS COMPRISING SUBSTITUTED POLYAMINE COMPOUNDS | BASF SE (CH) | 2009-02-05 | — | — | WO | disclosed |
| US-20080249077-A1 | 17.Beta.-Fluoromethoxycarbonyl-Androst-4-En-3-One Compounds With a 17.Alpha.-Carbonate Sustituent | GLAXO GROUP LIMITED (GB) | 2008-10-09 | — | — | US | disclosed |
| EP-1957512-A1 | 17.BETA.-FLUOROMETHOXYCARBONYL-ANDROST-4-EN-3-ONE COMPOUNDS WITH A 17.ALPHA.-CARBONATE SUBSTITUENT | GLAXO GROUP LIMITED (GB) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007057152-A1 | 17.BETA.-FLUOROMETHOXYCARBONYL-ANDROST-4-EN-3-ONE COMPOUNDS WITH A 17.ALPHA.-CARBONATE SUBSTITUENT | GLAXO GROUP LIMITED (GB) | 2007-05-24 | — | — | WO | disclosed |