⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3677247 | 0.86 | — | — | |
| SCHEMBL15063320 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL7719918 | 0.80 | KDM4E (0.30) | — | |
| SCHEMBL6250343 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL12938373 | 0.73 | — | — | |
| SCHEMBL15063319 | 0.73 | — | — | |
| SCHEMBL3671039 | 0.72 | — | — | |
| SCHEMBL14562072 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL6256134 | 0.71 | PRKCA (0.35) | — | |
| SCHEMBL5158818 | 0.71 | USP2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1149826-B1 | Ester compounds having alicyclic structure, and methods for preparing the same | SHINETSU CHEMICAL CO (JP) | 2010-11-24 | — | — | EP | disclosed |
| US-6403823-B2 | Ester compounds having alicyclic structure and method for preparing same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2002-06-11 | — | — | US | disclosed |
| US-20010051742-A1 | Novel ester compounds having alicyclic structure and method for preparing same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2001-12-13 | — | — | US | disclosed |
| EP-1149826-A2 | Ester compounds having alicyclic structure, and methods for preparing the same | Shin-Etsu Chemical Co., Ltd. (JP) | 2001-10-31 | — | — | EP | disclosed |