⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27671216 | 0.72 | — | — | |
| Trifluoroacetic Acid SCHEMBL29061661 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL4666919 | 0.64 | — | — | |
| SCHEMBL27245 | 0.63 | — | — | |
| SCHEMBL20744 | 0.61 | — | — | |
| Trifluoroacetic Acid SCHEMBL15321506 | 0.61 | ALDH1A1 (0.38) | — | |
| SCHEMBL8587703 | 0.59 | — | — | |
| SCHEMBL891845 | 0.59 | — | — | |
| SCHEMBL333105 | 0.59 | — | — | |
| SCHEMBL741287 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002021216-A9 | POLYMERS AND PHOTORESIST COMPOSITIONS COMPRISING ELECTRONEGATIVE GROUPS | SHIPLEY CO LLC (US) | 2003-04-03 | — | — | WO | claimed |
| US-20020058199-A1 | Novel polymers and photoresist compositions comprising electronegative groups | SHIPLEY COMPANY, L.L.C. | 2002-05-16 | — | — | US | claimed |
| EP-1656020-A2 | PYRIDINYLANILIDES | Bayer CropScience AG (DE) | 2006-05-17 | — | — | EP | disclosed |
| WO-2005004606-A2 | PYRIDINYLANILIDES | BAYER CROPSCIENCE AG (DE) | 2005-01-20 | — | — | WO | disclosed |