⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10686935 | 1.00 | — | — | |
| SCHEMBL4233187 | 1.00 | — | — | |
| SCHEMBL19543346 | 0.97 | — | — | |
| SCHEMBL9963866 | 0.81 | — | — | |
| SCHEMBL6676961 | 0.79 | — | — | |
| SCHEMBL12548621 | 0.73 | — | — | |
| SCHEMBL21921320 | 0.73 | KDM4E (0.33) | — | |
| SCHEMBL8755384 | 0.68 | CA2 (0.36) | — | |
| SCHEMBL19557085 | 0.67 | — | — | |
| SCHEMBL13166994 | 0.66 | BACE1 (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4540797-A | Process for resolution of chiral alcohols or phenols or chiral lactonic compounds | ROUSSEL UCLAF (FR) | 1985-09-10 | — | — | US | claimed |
| US-4720556-A | 3-oxabicyclo-(3,1,0)-hexan-2-ones | ROUSSEL UCLAF (FR) | 1988-01-19 | — | — | US | disclosed |
| US-4658043-A | Ethers of pantolactone | ROUSSEL UCLAF (FR) | 1987-04-14 | — | — | US | disclosed |
| US-4540797-A | Process for resolution of chiral alcohols or phenols or chiral lactonic compounds | ROUSSEL UCLAF (FR) | 1985-09-10 | — | — | US | disclosed |
| US-4374257-A | Novel ethers containing a lactone group and a chiral atom | ROUSSEL UCLAF (FR) | 1983-02-15 | — | — | US | disclosed |
| EP-0004493-B1 | ETHERS WHOSE ORGANIC MOIETIES HAVE ASYMMETRIC ATOMS, METHODS FOR THEIR PREPARATION AND THEIR USE FOR THE RESOLUTION OF ALCOHOLS, PHENOLS OR CERTAIN COMPOUNDS WITH A LACTONE STRUCTURE | ROUSSEL-UCLAF (FR) | 1981-05-06 | — | — | EP | disclosed |
| US-4265817-A | Novel chiral ethers and their use in resolution of alcohols and phenols | ROUSSEL UCLAF (FR) | 1981-05-05 | — | — | US | disclosed |
| EP-0004493-A1 | Ethers whose organic moieties have asymmetric atoms, methods for their preparation and their use for the resolution of alcohols, phenols or certain compounds with a lactone structure | ROUSSEL-UCLAF (FR) | 1979-10-03 | — | — | EP | disclosed |