⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12946475 | 0.94 | — | — | |
| SCHEMBL14669272 | 0.89 | TSHR (0.30) | — | |
| SCHEMBL14669215 | 0.88 | — | — | |
| SCHEMBL12946476 | 0.83 | TSHR (0.30) | — | |
| SCHEMBL950214 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL12914693 | 0.80 | TSHR (0.31) | — | |
| SCHEMBL14669271 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL14669275 | 0.72 | — | — | |
| SCHEMBL14669273 | 0.70 | THRB (0.30) | — | |
| SCHEMBL4452721 | 0.69 | TSHR (0.41) | — |
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 1 patent. 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 |