⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28530353 | 0.97 | TSHR (0.62) | — | |
| SCHEMBL27936187 | 0.97 | TSHR (0.62) | — | |
| SCHEMBL11203071 | 0.84 | TSHR (0.33) | — | |
| SCHEMBL7816038 | 0.81 | — | — | |
| SCHEMBL22445024 | 0.81 | TSHR (0.38) | — | |
| Hexanal SCHEMBL28744407 | 0.79 | — | — | |
| SCHEMBL7189299 | 0.78 | TSHR (0.84) | — | |
| SCHEMBL350393 | 0.78 | TSHR (0.84) | — | |
| SCHEMBL7180877 | 0.78 | TSHR (0.75) | — | |
| SCHEMBL1684008 | 0.78 | TSHR (0.84) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1665828-A | Novel substituted sulfamate anticonvulsant derivatives | ORTHO MCNEIL PHARM INC (US) | 2005-09-07 | — | — | CN | claimed |
| CN-1192731-A | Prepn. of amido ester compound | EASTMAN CHEM CO (US) | 1998-09-09 | — | — | CN | claimed |
| CN-1665828-B | Novel substituted sulfamate anticonvulsant derivatives | ORTHO MCNEIL PHARM INC | 2012-06-27 | — | — | CN | disclosed |
| CN-1665828-A | Novel substituted sulfamate anticonvulsant derivatives | ORTHO MCNEIL PHARM INC (US) | 2005-09-07 | — | — | CN | disclosed |
| US-5852036-A | Method for treating anxiety | ELI LILLY AND COMPANY (US) | 1998-12-22 | — | — | US | disclosed |
| CN-1192731-A | Prepn. of amido ester compound | EASTMAN CHEM CO (US) | 1998-09-09 | — | — | CN | disclosed |