⚠ 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL39001 | 0.85 | ALDH1A1 (0.57) | — | |
| Tetrahydrofuran SCHEMBL28200852 | 0.85 | — | — | |
| Tetrahydrofuran SCHEMBL20994813 | 0.85 | ALDH1A1 (0.57) | — | |
| Carbon Dioxide SCHEMBL28724073 | 0.82 | — | — | |
| SCHEMBL29849299 | 0.82 | ALDH1A1 (0.53) | — | |
| SCHEMBL9576477 | 0.82 | ALDH1A1 (1.00) | — | |
| Tetrahydrofuran SCHEMBL130914 | 0.82 | — | — | |
| SCHEMBL30466481 | 0.82 | ALDH1A1 (1.00) | — | |
| Tetrahydrofuran SCHEMBL1982618 | 0.82 | — | — | |
| SCHEMBL3455441 | 0.82 | ALDH1A1 (1.00) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111056990-A | Preparation method for synthesizing 1-tert-butyloxycarbonyl-4- (4-carboxyphenyl) piperidine | 爱斯特（成都）生物制药股份有限公司 | 2020-04-24 | — | — | CN | claimed |
| CN-111056990-B | Preparation method for synthesizing 1-tert-butyloxycarbonyl-4- (4-carboxyphenyl) piperidine | 爱斯特（成都）生物制药股份有限公司 | 2022-06-17 | — | — | CN | disclosed |
| CN-111056990-A | Preparation method for synthesizing 1-tert-butyloxycarbonyl-4- (4-carboxyphenyl) piperidine | 爱斯特（成都）生物制药股份有限公司 | 2020-04-24 | — | — | CN | disclosed |
| US-20110086103-A1 | NOVEL MANDELATE SALT OF FESOTERODINE | ACTAVIS GROUP PTC EHF (IS) | 2011-04-14 | — | — | US | disclosed |