⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL951844 | 0.87 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL952339 | 0.87 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL950259 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL5194168 | 0.75 | GRIN2D (0.30) | — | |
| SCHEMBL953463 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL27576712 | 0.74 | — | — | |
| SCHEMBL28154474 | 0.74 | SOAT1 (0.32) | — | |
| SCHEMBL28392656 | 0.74 | — | — | |
| SCHEMBL951846 | 0.70 | NAAA (0.37) | — | |
| SCHEMBL952341 | 0.70 | ALDH1A1 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |