⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11808752 | 0.72 | — | — | |
| SCHEMBL19047420 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL18033321 | 0.71 | — | — | |
| SCHEMBL891965 | 0.69 | — | — | |
| SCHEMBL1454433 | 0.69 | — | — | |
| SCHEMBL10582431 | 0.69 | — | — | |
| SCHEMBL12285397 | 0.69 | — | — | |
| SCHEMBL13977210 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL12809327 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL12655540 | 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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4683912-A1 | SUBSTITUTED THIOPHENE FUSED CYCLOHEXANONE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME AND THEIR USE AS PHARMACEUTICALS | Neurasic Therapeutics Inc. (CA) | 2026-01-28 | — | — | EP | disclosed |
| WO-2025035205-A1 | PHARMACEUTICAL COMBINATIONS COMPRISING A SUBSTITUTED THIOPHENE FUSED CYCLOHEXANONE DERIVATIVE AND A CYCLOOXYGENASE (COX) INHIBITOR, AND THEIR USE FOR THE TREATMENT OF PAIN | NEURASIC THERAPEUTICS INC. (CA) | 2025-02-20 | — | — | WO | disclosed |
| WO-2024192520-A1 | SUBSTITUTED THIOPHENE FUSED CYCLOHEXANONE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME AND THEIR USE AS PHARMACEUTICALS | NEURASIC THERAPEUTICS INC. (CA) | 2024-09-26 | — | — | WO | disclosed |
| CN-114163364-A | 2-methoxy allyl sulfonic ester and its synthesis method | 河北科技大学 | 2022-03-11 | — | — | CN | disclosed |
| WO-2017021730-A1 | MUSCARINIC AGONISTS | HEPTARES THERAPEUTICS LIMITED (GB) | 2017-02-09 | — | — | WO | disclosed |
| WO-2017007756-A1 | HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE | RODIN THERAPEUTICS, INC (US) | 2017-01-12 | — | — | WO | disclosed |
| US-20160243063-A1 | METHODS OF INCREASING THE CYTOTOXICITY OF CHEMOTHERAPEUTIC AGENTS WITH MULTISUBSTRATE INHIBITORS OF HISTONE, PROTEIN-LYS, POLYAMINE ACETYLATION, AND POLYAMINE METABOLISM | VANDERBILT UNIVERSITY | 2016-08-25 | — | — | US | disclosed |
| US-9107879-B1 | Methods of increasing the cytotoxicity of chemotherapeutic agents with multisubstrate inhibitors of histone, protein-lys, polyamine acetylation, and polyamine metabolism | VANDERBILT UNIVERSITY (US) | 2015-08-18 | — | — | US | disclosed |
| US-7749994-B2 | Pentacyclic kinase inhibitors | GENENTECH, INC. (US) | 2010-07-06 | — | — | US | disclosed |
| US-7749994-B2 | Pentacyclic kinase inhibitors | GENENTECH, INC. (US) | 2010-07-06 | — | — | US | disclosed |
| US-20070037791-A1 | serine/threonine kinase inhibitors, useful for therapy and/or prophylaxis of cancers in mammals | HOFFMAN-LAROUCHE, INC. | 2007-02-15 | — | — | US | disclosed |
| US-20070037791-A1 | serine/threonine kinase inhibitors, useful for therapy and/or prophylaxis of cancers in mammals | HOFFMAN-LAROUCHE, INC. | 2007-02-15 | — | — | US | disclosed |
| WO-2006030032-A1 | NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-03-23 | — | — | WO | disclosed |
| US-6063549-A | COMPRISING AN ACID-GENERATING COMPOUND, A FILM-FORMING BINDER HAVING GROUPS CLEAVABLE BY ACID CATALYSIS, A COMPOUND WITH LATENT AROMATIC GROUPS AND A FILM-FORMING BINDER WITH LATENT AROMATIC GROUPS | ARCH SPECIALTY CHEMICALS, INC. (US) | 2000-05-16 | — | — | US | disclosed |
| US-5776657-A | Wet-chemical developable, etch-stable photoresist for UV radiation with a wavelength below 200 NM | OCG MICROELECTRONIC MATERIALS, INC. (US) | 1998-07-07 | — | — | US | disclosed |
| EP-0737897-A1 | Wet developable etch resistant photoresist for UV-exposure at wavelength below 200 nm | OCG Microelectronic Materials Inc. (US) | 1996-10-16 | — | — | EP | disclosed |
| US-4396626-A | (1-METHYL-4-TRIFLUOROMETHYL-5-ARYLCARBONYL-4-PYRRYL)ALKANOIC ACID OR DERIVATIVE; ANALGESIC, ANTIINFLAMMATORY | BEECHAM GROUP LIMITED (GB) | 1983-08-02 | — | — | US | disclosed |
| US-4385063-A | Thieno [3'2':5,6]cyclohepta [1,2-b]pyrrole derivatives | BEECHAM GROUP LIMITED (GB) | 1983-05-24 | — | — | US | disclosed |
| EP-0049999-A2 | Cyclic compounds and their preparation and use | BEECHAM GROUP PLC (GB) | 1982-04-21 | — | — | EP | disclosed |
| EP-0035853-A2 | Thienocycloheptapyrrole derivatives, process for their preparation and pharmaceutical compositions containing them | BEECHAM GROUP PLC (GB) | 1981-09-16 | — | — | EP | disclosed |