⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7723218 | 0.83 | — | — | |
| SCHEMBL3673114 | 0.78 | — | — | |
| SCHEMBL7719930 | 0.77 | — | — | |
| SCHEMBL7719948 | 0.76 | — | — | |
| SCHEMBL7719932 | 0.76 | — | — | |
| SCHEMBL7724065 | 0.76 | — | — | |
| SCHEMBL3672304 | 0.75 | — | — | |
| SCHEMBL5158818 | 0.74 | USP2 (0.31) | — | |
| SCHEMBL3679510 | 0.73 | — | — | |
| SCHEMBL7585067 | 0.72 | — | — |
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-6403822-B2 | NUCLEOPHILIC ADDITION OF ALICYCLIC CARBONYL AND METAL ENOLATE OF ACETATE; POLYCARBON MONOMERS FOR PHOTORESISTS; HIGH REACTIVITY AND SUBSTRATE AFFINITY | SHIN-ETSU CHEMICAL, CO., LTD. (JP) | 2002-06-11 | — | — | US | disclosed |
| US-20010051741-A1 | Novel ester compounds having alicyclic structure and method for preparing same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2001-12-13 | — | — | US | disclosed |