⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1160371 | 0.85 | CNR1 (0.32) | — | |
| SCHEMBL1159858 | 0.78 | MYC (0.33) | — | |
| SCHEMBL1159673 | 0.76 | — | — | |
| SCHEMBL9719747 | 0.75 | GABRA1 (0.37) | — | |
| SCHEMBL1159808 | 0.70 | — | — | |
| SCHEMBL7595036 | 0.69 | MYC (0.30) | — | |
| SCHEMBL561586 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL1243079 | 0.68 | CA2 (0.33) | — | |
| SCHEMBL1159857 | 0.67 | — | — | |
| SCHEMBL28882287 | 0.67 | — | — |
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-8183311-B2 | Liquid phosphite composition derived from cresols | CHEMTURA CORPORATION (US) | 2012-05-22 | — | — | US | claimed |
| WO-2011014211-A1 | LIQUID PHOSPHITE COMPOSITION DERIVED FROM META-CRESOLS | CHEMTURA CORPORATION (US) | 2011-02-03 | — | — | WO | claimed |
| US-20100076125-A1 | LIQUID PHOSPHITE COMPOSITION DERIVED FROM CRESOLS | CHEMTURA CORPORATION (US) | 2010-03-25 | — | — | US | claimed |
| US-8183311-B2 | Liquid phosphite composition derived from cresols | CHEMTURA CORPORATION (US) | 2012-05-22 | — | — | US | disclosed |
| WO-2011014211-A1 | LIQUID PHOSPHITE COMPOSITION DERIVED FROM META-CRESOLS | CHEMTURA CORPORATION (US) | 2011-02-03 | — | — | WO | disclosed |
| US-20100076125-A1 | LIQUID PHOSPHITE COMPOSITION DERIVED FROM CRESOLS | CHEMTURA CORPORATION (US) | 2010-03-25 | — | — | US | disclosed |