⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2637337 | 0.88 | ALDH1A1 (0.56) | — | |
| SCHEMBL5025868 | 0.73 | ALDH1A1 (0.62) | — | |
| SCHEMBL11494558 | 0.71 | MEN1 (0.35) | — | |
| SCHEMBL165983 | 0.70 | ALDH1A1 (1.00) | — | |
| SCHEMBL9164047 | 0.70 | S100A4 (0.55) | — | |
| SCHEMBL9418712 | 0.69 | — | — | |
| SCHEMBL9720387 | 0.67 | ALDH1A1 (0.92) | — | |
| Hydrochloric Acid SCHEMBL10715580 | 0.67 | ALDH1A1 (0.92) | — | |
| SCHEMBL5934746 | 0.67 | MEN1 (0.32) | — | |
| SCHEMBL11494559 | 0.65 | ALDH1A1 (0.41) | — |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4272633-A | REACTING HEXACHLOROCYCLOBUTENE WITH ANHYDROUS SULFURIC ACID AND SULFUR TRIOXIDE OR PHOSPHORUS PENTOXIDE | CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DE) | 1981-06-09 | — | — | US | claimed |
| US-4245113-A | Process for the manufacture of 2,3,4,4-tetrachloro-3-butenoic acid esters | CHEMISCHE WERKE HUELS, A.G. (DE) | 1981-01-13 | — | — | US | claimed |
| US-4175095-A | Process for the manufacture of pentachlorovinylacetyl chloride | CHEMISCHE WERKE HULS, A.G. (DE) | 1979-11-20 | — | — | US | claimed |
| CN-116969823-B | Preparation method of squaric acid intermediate | 山东华安新材料有限公司 | 2024-10-29 | — | — | CN | disclosed |
| CN-116969823-A | Preparation method of squaric acid intermediate | 山东华安新材料有限公司 | 2023-10-31 | — | — | CN | disclosed |
| CN-115710169-A | Preparation method of squaric acid | 北京成宇化工有限公司 | 2023-02-24 | — | — | CN | disclosed |
| US-6482950-B1 | Squarylium compounds, and processes and intermediates for the synthesis of these compounds | POLAROID CORPORATION | 2002-11-19 | — | — | US | disclosed |
| WO-2000044742-A1 | IMPROVED SENSITIZERS FOR USE IN PHOTODYNAMIC THERAPY | LAMBDA PHARMACEUTICALS, INC. (US) | 2000-08-03 | — | — | WO | disclosed |
| US-5919950-A | SYNTHESIS OF SQUARATE DYES | POLAROID CORPORATION (US) | 1999-07-06 | — | — | US | disclosed |
| EP-0516985-B1 | Synthesis of squarylium compounds | POLAROID CORP (US) | 1997-12-29 | — | — | EP | disclosed |
| US-5231190-A | SQUARYLIUM COMPOUNDS, AND PROCESSES AND INTERMEDIATES FOR THE SYNTHESIS OF THESE COMPOUNDS | POLAROID CORPORATION (US) | 1993-07-27 | — | — | US | disclosed |
| US-4272633-A | REACTING HEXACHLOROCYCLOBUTENE WITH ANHYDROUS SULFURIC ACID AND SULFUR TRIOXIDE OR PHOSPHORUS PENTOXIDE | CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DE) | 1981-06-09 | — | — | US | disclosed |
| US-4272633-A | REACTING HEXACHLOROCYCLOBUTENE WITH ANHYDROUS SULFURIC ACID AND SULFUR TRIOXIDE OR PHOSPHORUS PENTOXIDE | CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DE) | 1981-06-09 | — | — | US | disclosed |
| EP-0024485-A1 | Process for the production of ethylene copolymers with at least one other 1-monoolefin and optionally a non conjugated diene | CHEMISCHE WERKE HÜLS AG (DE) | 1981-03-11 | — | — | EP | disclosed |
| US-4245113-A | Process for the manufacture of 2,3,4,4-tetrachloro-3-butenoic acid esters | CHEMISCHE WERKE HUELS, A.G. (DE) | 1981-01-13 | — | — | US | disclosed |
| US-4245113-A | Process for the manufacture of 2,3,4,4-tetrachloro-3-butenoic acid esters | CHEMISCHE WERKE HUELS, A.G. (DE) | 1981-01-13 | — | — | US | disclosed |
| US-4181790-A | A 2,3,4,4-TETRACHLORO-3-BUTENOATE | Chemische Werke Huels, Aktiengellschaft (DE) | 1980-01-01 | — | — | US | disclosed |
| US-4175095-A | Process for the manufacture of pentachlorovinylacetyl chloride | CHEMISCHE WERKE HULS, A.G. (DE) | 1979-11-20 | — | — | US | disclosed |
| US-4175095-A | Process for the manufacture of pentachlorovinylacetyl chloride | CHEMISCHE WERKE HULS, A.G. (DE) | 1979-11-20 | — | — | US | disclosed |
| US-4097530-A | Process for the production of squaric acid | CHEMISCHE WERKE HUELS AKTIENGESELLSCHAFT (DT) | 1978-06-27 | — | — | US | disclosed |