⚠ 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 | |
|---|---|---|---|---|
| Potassium SCHEMBL29394450 | 0.97 | — | — | |
| SCHEMBL8900116 | 0.75 | TDP1 (0.50) | — | |
| SCHEMBL871200 | 0.75 | TDP1 (0.50) | — | |
| SCHEMBL12350125 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL6320894 | 0.73 | TDP1 (0.48) | — | |
| Tert-Butyl Formate SCHEMBL1671 | 0.72 | — | — | |
| Tert-Butyl Formate SCHEMBL30378535 | 0.72 | TDP1 (1.00) | — | |
| SCHEMBL95054 | 0.72 | — | — | |
| SCHEMBL291839 | 0.69 | — | — | |
| Tert-Butyl Formate SCHEMBL4984399 | 0.69 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10807970-B2 | Tetrahydropyran and thiopyran derivatives having multimodal activity against pain | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-10-20 | — | — | US | disclosed |
| EP-3458450-B1 | TETRAHYDROPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS SA (ES) | 2020-07-01 | — | — | EP | disclosed |
| US-20190241544-A1 | TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-08-08 | — | — | US | disclosed |
| EP-3458450-A1 | TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-03-27 | — | — | EP | disclosed |
| WO-2018153545-A1 | PIPERIDINE METHANONE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2018-08-30 | — | — | WO | disclosed |
| WO-2018153546-A1 | TETRAHYDROPYRAN AND TETRAHYDROTHIOPYRAN METHANONE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2018-08-30 | — | — | WO | disclosed |
| WO-2017198339-A1 | TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-11-23 | — | — | WO | disclosed |
| CN-103626765-B | Substituted azaindole compounds and salt, compositions and purposes | 广东东阳光药业有限公司 | 2016-08-10 | — | — | CN | disclosed |
| US-8119581-B2 | Use of crosslinked microgels for modifying the temperature-dependent behavior of non-crosslinkable organic media | RHEIN CHEMIE RHEINAU GMBH (DE) | 2012-02-21 | — | — | US | disclosed |
| US-20060275690-A1 | Use of crosslinked microgels for modifying the temperature-dependent behavior of non-crosslinkable organic media | RHEIN CHEMIE RHEINAU GMBH (DE) | 2006-12-07 | — | — | US | disclosed |
| EP-0738742-A1 | Photocurable sulfide and polysulfide compositions | Sunrez Corp. (US) | 1996-10-23 | — | — | EP | disclosed |
| US-5407972-A | Improved sealants for air and marine vehicles | SUNREZ CORP. (US) | 1995-04-18 | — | — | US | disclosed |