⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5819405 | 0.88 | OPRM1 (0.48) | — | |
| SCHEMBL11327130 | 0.85 | TSHR (0.50) | — | |
| SCHEMBL8067844 | 0.82 | OPRM1 (0.43) | — | |
| Malonic Acid SCHEMBL28314745 | 0.81 | GPR84 (0.44) | — | |
| SCHEMBL5067840 | 0.80 | TSHR (0.44) | — | |
| SCHEMBL28287650 | 0.80 | TSHR (0.44) | — | |
| SCHEMBL16926996 | 0.80 | TSHR (0.44) | — | |
| Malonic Acid SCHEMBL28314744 | 0.79 | CA1 (0.46) | — | |
| SCHEMBL18244962 | 0.78 | — | — | |
| SCHEMBL135671 | 0.76 | LMNA (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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111018700-B | Oxocyclo [8] arene derivatives and preparation method thereof | 清华大学 | 2023-03-31 | — | — | CN | claimed |
| WO-2021103795-A1 | OXIDIZED RING BELT [8] AROMATIC HYDROCARBON DERIVATIVE AND PREPARATION METHOD THEREFOR | 清华大学 | 2021-06-03 | — | — | WO | claimed |
| CN-111018700-A | Oxocyclo [8] arene derivatives and preparation method thereof | 清华大学 | 2020-04-17 | — | — | CN | claimed |
| WO-2017075590-A2 | PROCESSES FOR PREPARING 2-DIHALO RIBOLACTONES | COCRYSTAL PHARMA, INC. (US) | 2017-05-04 | — | — | WO | claimed |
| CN-111018700-B | Oxocyclo [8] arene derivatives and preparation method thereof | 清华大学 | 2023-03-31 | — | — | CN | disclosed |
| EP-4151643-A1 | IMPROVED PROCESS FOR PRODUCTION OF PHOSPHOESTERS OF GLUFOSINATE PRECURSORS | Evonik Operations GmbH (DE) | 2023-03-22 | — | — | EP | disclosed |
| CN-109790109-B | Process for preparing 3-alkylthio-2-chloro-N- (1-alkyl-1H-tetrazol-5-yl) -4-trifluoromethylbenzamides | 拜耳作物科学股份公司 | 2021-10-22 | — | — | CN | disclosed |
| WO-2021103795-A1 | OXIDIZED RING BELT [8] AROMATIC HYDROCARBON DERIVATIVE AND PREPARATION METHOD THEREFOR | 清华大学 | 2021-06-03 | — | — | WO | disclosed |
| US-11008290-B2 | Halogenated quinoline derivatives as antimicrobial agents | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2021-05-18 | — | — | US | disclosed |
| CN-108484666-B | Synthetic method of refined glufosinate-ammonium | 山东省农药科学研究院 | 2021-02-26 | — | — | CN | disclosed |
| EP-3529233-B1 | METHOD FOR THE PREPARATION OF 3-ALKYLSULFANYL-2-CHLOR-N- 1-ALKYL-1H-TETRAZOL-5-YL) -4-TRIFLUOROMETHYL-BENZAMIDENE | BAYER CROPSCIENCE AG (DE) | 2020-08-12 | — | — | EP | disclosed |
| CN-111018700-A | Oxocyclo [8] arene derivatives and preparation method thereof | 清华大学 | 2020-04-17 | — | — | CN | disclosed |
| WO-2011081949-A2 | HYDROGEN STORAGE AND/OR GENERATION | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2011-07-07 | — | — | WO | disclosed |
| WO-1996025442-A1 | STEP PROCESS FOR TAPERED MONOVINYLIDENE AROMATIC MONOMER CONJUGATED DIENE BLOCK COPOLYMERS | THE DOW CHEMICAL COMPANY (US) | 1996-08-22 | — | — | WO | disclosed |
| EP-0192424-B1 | PROCESS FOR PRODUCING THERMOPLASTIC ELASTOMERIC BLOCK COPOLYMERS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1992-04-29 | — | — | EP | disclosed |
| US-4845173-A | Process for producing thermoplastic elastomers | SUMITOMO CHEMICAL COMPANY (JP) | 1989-07-04 | — | — | US | disclosed |
| US-4669518-A | Tire tread having high trans butadiene based elastomeric block copolymers and blends | GENCORP INC. (US) | 1987-06-02 | — | — | US | disclosed |
| US-4670502-A | GOOD ROLLING, SKID AND ABRASION RESISTANCE | GENCORP INC. (US) | 1987-06-02 | — | — | US | disclosed |
| US-4616065-A | COPOLYMER OF STYRENE OR ISOPRENE; TIRE TREADS | GENCORP INC. (US) | 1986-10-07 | — | — | US | disclosed |
| EP-0192424-A2 | Process for producing thermoplastic elastomeric block copolymers | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1986-08-27 | — | — | EP | disclosed |