⚠ 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonamide SCHEMBL158538 | 1.00 | — | — | |
| Trifluoromethanesulfonamide SCHEMBL15792490 | 0.96 | CA1 (0.39) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5092177 | 0.77 | ALDH1A1 (0.45) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL39465 | 0.75 | ALDH1A1 (0.50) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL295 | 0.75 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3950101 | 0.75 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3507077 | 0.75 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL25292879 | 0.72 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL25293989 | 0.72 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL1979059 | 0.72 | — | — |
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-9006231-B2 | Cephalotaxus esters, methods of synthesis, and uses thereof | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2015-04-14 | — | — | US | disclosed |
| US-20140171416-A1 | CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2014-06-19 | — | — | US | disclosed |
| US-8466142-B2 | Cephalotaxus esters, methods of synthesis, and uses thereof | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2013-06-18 | — | — | US | disclosed |
| US-20110071097-A1 | CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2011-03-24 | — | — | US | disclosed |
| EP-2260041-A2 | CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF | Sloan Kettering Institute For Cancer Research (US) | 2010-12-15 | — | — | EP | disclosed |
| WO-2009148654-A2 | CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2009-12-10 | — | — | WO | disclosed |