⚠ 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 SCHEMBL11446904 | 0.98 | — | — | |
| Bromide SCHEMBL3932041 | 0.98 | — | — | |
| SCHEMBL2420911 | 0.86 | — | — | |
| SCHEMBL2363930 | 0.85 | ALDH1A1 (0.32) | — | |
| Bromide SCHEMBL3930841 | 0.85 | INMT (0.31) | — | |
| Iodide SCHEMBL11445662 | 0.85 | — | — | |
| SCHEMBL11445710 | 0.83 | PTGS1 (0.34) | — | |
| SCHEMBL11135652 | 0.83 | PTGS1 (0.34) | — | |
| SCHEMBL9778326 | 0.83 | PTGS1 (0.34) | — | |
| Bromide SCHEMBL9154612 | 0.81 | ALDH1A1 (0.37) | — |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101489998-B | Process for producing 2-hydroxy-4- (methylthio) butanoic acid or butyrate compound and intermediate thereof | SUMITOMO CO LTD | 2013-01-02 | — | — | CN | claimed |
| US-5252732-A | D-heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroarylmacrolides having immunosuppressive activity | MERCK & CO., INC. (US) | 1993-10-12 | — | — | US | claimed |
| JP-53142697-A | — | — | None | — | — | JP | disclosed |
| US-20250084074-A1 | SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS | MERCK PATENT GMBH (DE) | 2025-03-13 | — | — | US | disclosed |
| US-20240231230-A1 | COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM | NISSAN CHEMICAL CORPORATION (JP) | 2024-07-11 | — | — | US | disclosed |
| US-20230295368-A1 | CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT | KOEI CHEMICAL COMPANY, LIMITED (JP) | 2023-09-21 | — | — | US | disclosed |
| US-11718704-B2 | Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent | KOEI CHEMICAL COMPANY, LIMITED (JP) | 2023-08-08 | — | — | US | disclosed |
| EP-3689931-A1 | CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT | Koei Chemical Company, Limited (JP) | 2020-08-05 | — | — | EP | disclosed |
| US-20200216600-A1 | CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT | KOEI CHEMICAL COMPANY, LIMITED (JP) | 2020-07-09 | — | — | US | disclosed |
| CN-111094375-A | Blocking agent dissociation catalyst for blocked isocyanate and thermosetting composition containing the same | 广荣化学工业株式会社 | 2020-05-01 | — | — | CN | disclosed |
| CN-102702046-B | Process for producing 2-hydroxy-4-(methylthio) butyrate compounds and intermediates thereof | SUMITOMO CHEMICAL CO | 2014-07-09 | — | — | CN | disclosed |
| EP-0296673-A1 | Thiazole derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1988-12-28 | — | — | EP | disclosed |
| US-4737518-A | ANTIALLERGENS, ANTINEOPLASTICS, ANTICOAGULANTS, CIRCULATORY DISEASES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-04-12 | — | — | US | disclosed |
| EP-0157609-A2 | Lipid derivatives their production and use | Takeda Chemical Industries, Ltd. (JP) | 1985-10-09 | — | — | EP | disclosed |
| US-4206308-A | (N-BUTYLPYRIDINIUM) (+) (7,7,8,8-TETRACYANOQUINODIMETHAN) (-) (7,7,8,8-TETRACYANOQUINODIMETHAN) | MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) | 1980-06-03 | — | — | US | disclosed |
| US-4202799-A | Organic-heat-sensitive semiconductive compounds | MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) | 1980-05-13 | — | — | US | disclosed |
| US-4202799-A | Organic-heat-sensitive semiconductive compounds | MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) | 1980-05-13 | — | — | US | disclosed |
| US-4183006-A | TETRACYANOQUINODIMETHAN ORGANIC SALTS | MATSUSHITA ELECTRIC INDUSTRIAL COMPANY, LIMITED (JP) | 1980-01-08 | — | — | US | disclosed |
| US-4157332-A | FREE RADICALS, CHARGE TRANSFER COMPOUNDS | MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) | 1979-06-05 | — | — | US | disclosed |
| JP-S53142697-A | HEAT-SENSITIVE MATERIAL | MATSUSHITA ELECTRIC IND CO LTD | 1978-12-12 | — | — | JP | disclosed |