⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL100137 | 0.85 | — | — | |
| SCHEMBL56558 | 0.85 | — | — | |
| Bromide SCHEMBL27622211 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL5580355 | 0.77 | ALDH1A1 (0.48) | — | |
| SCHEMBL25457766 | 0.74 | — | — | |
| SCHEMBL668588 | 0.73 | — | — | |
| SCHEMBL5031324 | 0.72 | — | — | |
| SCHEMBL949764 | 0.72 | — | — | |
| SCHEMBL4642258 | 0.72 | — | — | |
| SCHEMBL951358 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7709169-B2 | Charge trapping releaser containing charge transport layer photoconductors | XEROX CORPORATION (US) | 2010-05-04 | — | — | US | claimed |
| CN-106957314-A | Pyrimidine derivatives as RAF kinase inhibitors | 苏尼西斯制药有限公司 | 2017-07-18 | — | — | CN | disclosed |
| US-20130030212-A1 | COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER | IDEMITSU KOSAN CO., LTD. (JP) | 2013-01-31 | — | — | US | disclosed |
| US-20130023693-A1 | COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER | IDEMITSU KOSAN CO., LTD. (JP) | 2013-01-24 | — | — | US | disclosed |
| US-20110009661-A1 | COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER | IDEMITSU KOSAN CO., LTD. (JP) | 2011-01-13 | — | — | US | disclosed |