⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL8756258 | 0.96 | — | — | |
| SCHEMBL7961659 | 0.78 | — | — | |
| SCHEMBL9755032 | 0.75 | — | — | |
| SCHEMBL26340588 | 0.75 | — | — | |
| SCHEMBL47739 | 0.70 | — | — | |
| SCHEMBL5719204 | 0.70 | — | — | |
| Water SCHEMBL27711680 | 0.68 | — | — | |
| Water SCHEMBL4451967 | 0.68 | TSHR (0.30) | — | |
| SCHEMBL1848756 | 0.68 | — | — | |
| SCHEMBL66166 | 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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104185621-B | Process for preparing 3-methanesulfonylpropionitrile | 欧拉泰克工业有限责任公司 | 2016-09-07 | — | — | CN | claimed |
| US-4517194-A | FUNGICIDES AND BACTERICIDES FOR PLANTS | CIBA-GEIGY CORPORATION (US) | 1985-05-14 | — | — | US | claimed |
| US-4168244-A | CONJUGATED DIOLEFINS TO HIGH MOLECULAR WEIGHT STEREOREGULAR POLYMERS | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1979-09-18 | — | — | US | claimed |
| US-4048418-A | Method of polymerization of conjugated diolefins using iron catalysts and nitrogen ligands | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1977-09-13 | — | — | US | claimed |
| US-11197814-B2 | Oral care compositions comprising phosphonate and anionic group containing polymers | THE PROCTER & GAMBLE COMPANY (US) | 2021-12-14 | — | — | US | disclosed |
| WO-2021056098-A1 | NEOGLYCOCONJUGATES AS VACCINES AND THERAPEUTIC TOOLS | KORANEX CAPITAL (CA) | 2021-04-01 | — | — | WO | disclosed |
| US-20190175485-A1 | ORAL CARE COMPOSITIONS COMPRISING PHOSPHONATE AND ANIONIC GROUP CONTAINING POLYMERS | THE PROCTER & GAMBLE COMPANY | 2019-06-13 | — | — | US | disclosed |
| CN-104185621-B | Process for preparing 3-methanesulfonylpropionitrile | 欧拉泰克工业有限责任公司 | 2016-09-07 | — | — | CN | disclosed |
| WO-2015099913-A1 | POLYACRYLONITRILE (PAN) POLYMERS WITH LOW POLYDISPERSITY INDEX (PDI) AND CARBON FIBERS MADE THEREFROM | CYTEC INDUSTRIES INC. (US) | 2015-07-02 | — | — | WO | disclosed |
| CN-1671379-A | Hydrazinopyrazole derivatives and their use as therapeutic agents | QUADRA LOGIC TECH INC (CA) | 2005-09-21 | — | — | CN | disclosed |
| US-6699695-B1 | FOR EXAMPLE, CONVERTING 2-HYDROXY-4-METHYLTHIOBUTYRONITRILE INTO THE CORRESPONDING AMIDE, WHICH IS A PRECURSOR TO THE FEED SUPPLEMENT 2-HYDROXY-4-METHYLTHIOBUTYRIC ACID | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2004-03-02 | — | — | US | disclosed |
| EP-1055724-A1 | MICROORGANISMS AND PROCESS FOR PRODUCING AMIDE COMPOUNDS | Daicel Chemical Industries, Ltd. (JP) | 2000-11-29 | — | — | EP | disclosed |
| US-4168244-A | CONJUGATED DIOLEFINS TO HIGH MOLECULAR WEIGHT STEREOREGULAR POLYMERS | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1979-09-18 | — | — | US | disclosed |
| US-4048418-A | Method of polymerization of conjugated diolefins using iron catalysts and nitrogen ligands | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1977-09-13 | — | — | US | disclosed |