⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL170892 | 0.76 | — | — | |
| SCHEMBL3887820 | 0.76 | — | — | |
| SCHEMBL18632260 | 0.76 | — | — | |
| SCHEMBL1928908 | 0.73 | — | — | |
| SCHEMBL18913244 | 0.71 | — | — | |
| SCHEMBL20474599 | 0.69 | — | — | |
| SCHEMBL16229889 | 0.67 | — | — | |
| SCHEMBL312203 | 0.67 | — | — | |
| SCHEMBL7764130 | 0.67 | — | — | |
| SCHEMBL6335886 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5888475-A | KIT FOR RAPID SYNTHESIS OF LABELED COCAINE DERIVATIVES THAT BIND DOPAMINE TRANSPORTER, COMPRISING SAID COCAINE DERIVATIVE, PHASE TRANSFER CATALYST, RADIOACTIVELY LABELED POTASSIUM FLUORIDE | EMORY UNIVERSITY (US) | 1999-03-30 | — | — | US | claimed |
| CN-110267948-A | Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and methods of making the modulators | 弗特克斯药品有限公司 | 2019-09-20 | — | — | CN | disclosed |
| CN-105473554-B | Condensed piperidine amide as ion channel modulators | 沃泰克斯药物股份有限公司 | 2019-08-13 | — | — | CN | disclosed |
| CN-105473554-A | Fused piperidine amides as modulators of ion channels | VERTEX PHARMA | 2016-04-06 | — | — | CN | disclosed |
| US-5888475-A | KIT FOR RAPID SYNTHESIS OF LABELED COCAINE DERIVATIVES THAT BIND DOPAMINE TRANSPORTER, COMPRISING SAID COCAINE DERIVATIVE, PHASE TRANSFER CATALYST, RADIOACTIVELY LABELED POTASSIUM FLUORIDE | EMORY UNIVERSITY (US) | 1999-03-30 | — | — | US | disclosed |
| US-5864038-A | FLUORINE OR IODINE LABELS FOR IMAGING | EMORY UNIVERSITY (US) | 1999-01-26 | — | — | US | disclosed |