⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL805312 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27396393 | 0.97 | TSHR (0.35) | — | |
| SCHEMBL28797211 | 0.81 | — | — | |
| SCHEMBL11669820 | 0.81 | TSHR (0.36) | — | |
| SCHEMBL29271233 | 0.81 | — | — | |
| SCHEMBL11669681 | 0.81 | TSHR (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL15994078 | 0.79 | TP53 (0.40) | — | |
| SCHEMBL295903 | 0.78 | — | — | |
| SCHEMBL13647266 | 0.78 | TSHR (0.38) | — | |
| SCHEMBL28333588 | 0.78 | — | — |
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 3 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 |
| 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-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 |