⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3677060 | 0.83 | NPSR1 (0.33) | — | |
| SCHEMBL12076318 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL6761985 | 0.77 | — | — | |
| SCHEMBL5518193 | 0.72 | EPHX2 (0.33) | — | |
| SCHEMBL3672304 | 0.70 | — | — | |
| SCHEMBL5511555 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL28223463 | 0.67 | CYP19A1 (0.34) | — | |
| SCHEMBL9761907 | 0.67 | — | — | |
| SCHEMBL7585184 | 0.66 | HSD11B1 (0.30) | — | |
| SCHEMBL2969444 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6500971-B2 | Ester compounds having alicyclic and oxirane structures and method for preparing the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2002-12-31 | — | — | US | disclosed |
| US-20020035279-A1 | Novel ester compounds having alicyclic and oxirane structures and method for preparing the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2002-03-21 | — | — | US | disclosed |