⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL978648 | 1.00 | — | — | |
| SCHEMBL17928315 | 0.84 | TSHR (0.35) | — | |
| SCHEMBL979337 | 0.82 | — | — | |
| SCHEMBL8003183 | 0.78 | — | — | |
| SCHEMBL977881 | 0.78 | — | — | |
| SCHEMBL2951249 | 0.76 | PRKCA (0.34) | — | |
| SCHEMBL3856801 | 0.76 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL7606484 | 0.76 | TSHR (0.46) | — | |
| SCHEMBL7604408 | 0.76 | TSHR (0.46) | — | |
| SCHEMBL5987105 | 0.76 | TSHR (0.46) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2250143-B1 | METHOD FOR THE ENZYMATIC KINETIC RESOLUTION OF ACYLOXYALKYL THIOCARBONATES USED FOR THE SYNTHESIS OF ACYLOXYALKYL CARBAMATES | XENOPORT INC (US) | 2016-04-20 | — | — | EP | disclosed |
| US-8062870-B2 | Enantiomerically resolving acyloxyalkyl thiocarbonates used in synthesizing acyloxyalkyl carbamate prodrugs | XENOPORT, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-8062870-B2 | Enantiomerically resolving acyloxyalkyl thiocarbonates used in synthesizing acyloxyalkyl carbamate prodrugs | XENOPORT, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-7868043-B2 | Mesophasic forms of (3S)-aminomethyl-5-methyl-hexanoic acid prodrugs and methods of use | XENOPORT, INC. (US) | 2011-01-11 | — | — | US | disclosed |
| US-7868043-B2 | Mesophasic forms of (3S)-aminomethyl-5-methyl-hexanoic acid prodrugs and methods of use | XENOPORT, INC. (US) | 2011-01-11 | — | — | US | disclosed |
| US-7868043-B2 | Mesophasic forms of (3S)-aminomethyl-5-methyl-hexanoic acid prodrugs and methods of use | XENOPORT, INC. (US) | 2011-01-11 | — | — | US | disclosed |
| US-20090192325-A1 | ENANTIOMERICALLY RESOLVING ACYLOXYALKYL THIOCARBONATES USED IN SYNTHESIZING ACYLOXYALKYL CARBAMATE PRODRUGS | XENOPORT, INC. (US) | 2009-07-30 | — | — | US | disclosed |
| US-20090192325-A1 | ENANTIOMERICALLY RESOLVING ACYLOXYALKYL THIOCARBONATES USED IN SYNTHESIZING ACYLOXYALKYL CARBAMATE PRODRUGS | XENOPORT, INC. (US) | 2009-07-30 | — | — | US | disclosed |
| WO-2009094577-A2 | MESOPHASIC FORMS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUGS AND METHODS OF USE | XENOPORT, INC. (US) | 2009-07-30 | — | — | WO | disclosed |
| US-20090192222-A1 | MESOPHASIC FORMS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUGS AND METHODS OF USE | XENOPORT, INC. (US) | 2009-07-30 | — | — | US | disclosed |
| US-20090192222-A1 | MESOPHASIC FORMS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUGS AND METHODS OF USE | XENOPORT, INC. (US) | 2009-07-30 | — | — | US | disclosed |