⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2092 | 0.68 | — | — | |
| Ammonia Solution, Strong SCHEMBL10400041 | 0.63 | — | — | |
| Fluoride SCHEMBL3369470 | 0.63 | — | — | |
| Carbon Dioxide SCHEMBL2359185 | 0.54 | — | — | |
| SCHEMBL8491323 | 0.54 | — | — | |
| Carbon Dioxide SCHEMBL7713031 | 0.50 | — | — | |
| Carbon Dioxide SCHEMBL71642 | 0.50 | — | — | |
| Carbon Dioxide SCHEMBL241039 | 0.50 | — | — | |
| Carbon Dioxide SCHEMBL916 | 0.50 | — | — | |
| Carbon Dioxide SCHEMBL88397 | 0.50 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1597252-A1 | PYRIDINE DERIVATIVES AS FUNGICIDAL COMPOUNDS | Bayer CropScience S.A. (FR) | 2005-11-23 | — | — | EP | claimed |
| WO-2004074280-A1 | PYRIDINE DERIVATIVES AS FUNGICIDAL COMPOUNDS | BAYER CROPSCIENCE SA (FR) | 2004-09-02 | — | — | WO | claimed |
| CN-1055744-A | Make the method for functionalized elastomeric polymers | SHELL INT RESEARCH (NL) | 1991-10-30 | — | — | CN | claimed |
| EP-2888259-A1 | DIAZEPINONE DERIVATIVES USEFUL FOR THE TREATMENT OF FRAGILE X SYNDROME, PARKINSONS OR REFLUX DISEASE | Novartis AG (CH) | 2015-07-01 | — | — | EP | disclosed |
| WO-2014030128-A1 | DIAZEPINONE DERIVATIVES USEFUL FOR THE TREATMENT OF FRAGILE X SYNDROME, PARKINSONS OR REFLUX DISEASE | NOVARTIS AG (CH) | 2014-02-27 | — | — | WO | disclosed |
| EP-2516009-A1 | SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES | Novartis AG (CH) | 2012-10-31 | — | — | EP | disclosed |
| EP-1708698-A1 | 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-10-11 | — | — | EP | disclosed |
| WO-2005063239-A1 | 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-07-14 | — | — | WO | disclosed |
| WO-2005037803-A1 | ORGANIC COMPOUNDS | SPEEDEL EXPERIMENTA AG (CH) | 2005-04-28 | — | — | WO | disclosed |