⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18393525 | 1.00 | — | — | |
| SCHEMBL1496227 | 1.00 | — | — | |
| Butyric Acid SCHEMBL10339171 | 0.79 | FFAR3 (0.41) | — | |
| SCHEMBL8015586 | 0.77 | — | — | |
| SCHEMBL27344216 | 0.75 | — | — | |
| Acrylic Acid Ethyl Ester SCHEMBL7194720 | 0.73 | TSHR (0.34) | — | |
| SCHEMBL23258782 | 0.70 | — | — | |
| SCHEMBL18849445 | 0.70 | — | — | |
| SCHEMBL12326083 | 0.65 | — | — | |
| SCHEMBL12479098 | 0.61 | — | — |
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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118829416-A | Composition (III) | 西姆莱斯股份公司 | 2024-10-22 | — | — | CN | claimed |
| CN-117813077-A | Composition and method for producing the same | 西姆莱斯股份公司 | 2024-04-02 | — | — | CN | claimed |
| EP-3649184-A1 | SILICONE COMPOUNDS | The Procter and Gamble Company (US) | 2020-05-13 | — | — | EP | claimed |
| WO-2019010265-A1 | SILICONE COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 2019-01-10 | — | — | WO | claimed |
| US-7326700-B2 | Cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists | WYETH (US) | 2008-02-05 | — | — | US | claimed |
| US-7022699-B2 | Cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators | WYETH (US) | 2006-04-04 | — | — | US | claimed |
| US-6977254-B2 | Hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists | WYETH (US) | 2005-12-20 | — | — | US | claimed |
| EP-1377585-B1 | NOVEL 10-CYCLOHEXENYL-PHENYL PYRROLOBENZODIAZEPINE-3-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | WYETH CORP (US) | 2005-11-09 | — | — | EP | claimed |
| EP-1283855-B1 | STABLE NEAR-INFRARED (NIR) MARKER DYES BASED ON BENZOPYRYLIUM-POLYMETHINES | DYOMICS GMBH (DE) | 2005-11-02 | — | — | EP | claimed |
| EP-1377584-B1 | NOVEL CYCLOHEXENYL PHENYL DIAZEPINES AS VASOPRESSIN AND OXYTOCIN RECEPTOR MODULATORS | WYETH CORP (US) | 2005-02-16 | — | — | EP | claimed |
| EP-1385849-A1 | NOVEL HYDROXY CYCLOHEXENYL PHENYL CARBOXAMIDES TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | Wyeth (US) | 2004-02-04 | — | — | EP | claimed |
| EP-1377584-A1 | NOVEL CYCLOHEXENYL PHENYL DIAZEPINES AS VASOPRESSIN AND OXYTOCIN RECEPTOR MODULATORS | Wyeth (US) | 2004-01-07 | — | — | EP | claimed |
| EP-1377585-A1 | NOVEL 10-CYCLOHEXENYL-PHENYL PYRROLOBENZODIAZEPINE-3-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | Wyeth (US) | 2004-01-07 | — | — | EP | claimed |
| US-20020198196-A1 | Novel cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators | WYETH | 2002-12-26 | — | — | US | claimed |
| US-20020183311-A1 | Novel hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists | WYETH | 2002-12-05 | — | — | US | claimed |
| WO-2002083679-A1 | NOVEL HYDROXY CYCLOHEXENYL PHENYL CARBOXAMIDES TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | WYETH (US) | 2002-10-24 | — | — | WO | claimed |
| WO-2002083682-A1 | NOVEL 10-CYCLOHEXENYL-PHENYL PYRROLOBENZODIAZEPINE-3-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | WYETH (US) | 2002-10-24 | — | — | WO | claimed |
| WO-2002083681-A1 | NOVEL CYCLOHEXENYL PHENYL DIAZEPINES VASOPRESSIN AND OXYTOCIN RECEPTOR MODULATORS | WYETH (US) | 2002-10-24 | — | — | WO | claimed |
| EP-1070059-B1 | CHROMANONE AND THIOCHROMANONE DERIVATIVES | NOVARTIS AG (CH) | 2002-09-25 | — | — | EP | claimed |
| EP-0494010-A1 | 1-Substituted 4-(4-imidazolyl) piperidines, process for their preparation and their therapeutic applications | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 1992-07-08 | — | — | EP | claimed |