⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL977881 | 1.00 | — | — | |
| SCHEMBL13647266 | 0.83 | TSHR (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL31304789 | 0.80 | TSHR (0.36) | — | |
| SCHEMBL978648 | 0.78 | — | — | |
| SCHEMBL976719 | 0.78 | — | — | |
| SCHEMBL2473035 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL3404696 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL23125473 | 0.77 | — | — | |
| SCHEMBL14631491 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL2957024 | 0.74 | PRKCA (0.36) | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2250148-B1 | CRYSTALLINE FORM OF CALCIUM-SALTS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACIDS AND METHODS OF USE | XENOPORT INC (US) | 2016-08-17 | — | — | EP | disclosed |
| EP-2250148-B1 | CRYSTALLINE FORM OF CALCIUM-SALTS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACIDS AND METHODS OF USE | XENOPORT INC (US) | 2016-08-17 | — | — | EP | disclosed |
| 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-8258179-B2 | Crystalline form of a (3S)-aminomethyl-5-methyl-hexanoic acid prodrug and methods of use | XENOPORT, INC. (US) | 2012-09-04 | — | — | US | disclosed |
| US-8258179-B2 | Crystalline form of a (3S)-aminomethyl-5-methyl-hexanoic acid prodrug and methods of use | XENOPORT, INC. (US) | 2012-09-04 | — | — | US | 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-20110224295-A1 | CRYSTALLINE FORM OF A (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUG AND METHODS OF USE | XENOPORT, INC. (US) | 2011-09-15 | — | — | US | disclosed |
| US-20110224295-A1 | CRYSTALLINE FORM OF A (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUG AND METHODS OF USE | XENOPORT, INC. (US) | 2011-09-15 | — | — | US | disclosed |
| US-7872046-B2 | Crystalline form of a (3S)-aminomethyl-5-methyl-hexanoic acid prodrug and methods of use | XENOPORT, INC. (US) | 2011-01-18 | — | — | 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-20090215809-A1 | CRYSTALLINE FORM OF A (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUG AND METHODS OF USE | XENOPORT, INC. (US) | 2009-08-27 | — | — | US | disclosed |
| US-20090215809-A1 | CRYSTALLINE FORM OF A (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUG AND METHODS OF USE | XENOPORT, INC. (US) | 2009-08-27 | — | — | US | disclosed |
| WO-2009094569-A2 | METHOD FOR THE ENZYMATIC KINETIC RESOLUTION OF ACYLOXYALKYL THIOCARBONATES USED FOR THE SYNTHESIS OF ACYLOXYALKYL CARBAMATES | XENOPORT, INC. (US) | 2009-07-30 | — | — | WO | disclosed |
| WO-2009094563-A2 | CRYSTALLINE FORM OF CALCIUM-SALTS OF (3S)-AMINOMETHYL-B-METHYL-HEXANOIC ACIDS AND METHODS OF USE | XENOPORT, INC. (US) | 2009-07-30 | — | — | WO | 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-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 |
| 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 |