⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7724472 | 0.85 | EPHX2 (0.30) | — | |
| SCHEMBL13075151 | 0.79 | — | — | |
| SCHEMBL3677958 | 0.78 | MMP12 (0.40) | — | |
| SCHEMBL13075154 | 0.76 | — | — | |
| SCHEMBL3679507 | 0.74 | — | — | |
| SCHEMBL3677430 | 0.72 | EPHX2 (0.31) | — | |
| SCHEMBL13075150 | 0.69 | — | — | |
| SCHEMBL525636 | 0.68 | KDM4E (0.40) | — | |
| SCHEMBL30209890 | 0.68 | ALDH1A1 (0.44) | — | |
| SCHEMBL3679510 | 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 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 |