⚠ 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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL27671643 | 0.92 | TSHR (0.52) | — | |
| SCHEMBL18597806 | 0.85 | IDO1 (0.61) | — | |
| SCHEMBL28731746 | 0.79 | AGXT (0.66) | — | |
| SCHEMBL27465014 | 0.79 | — | — | |
| Bromide SCHEMBL27599970 | 0.79 | TSHR (0.94) | — | |
| SCHEMBL27380 | 0.75 | TSHR (1.00) | — | |
| Benzene SCHEMBL27997624 | 0.75 | TSHR (1.00) | — | |
| SCHEMBL177923 | 0.75 | TSHR (0.67) | — | |
| SCHEMBL5311581 | 0.75 | TSHR (1.00) | — | |
| Bromide SCHEMBL8996427 | 0.74 | IDO1 (0.94) | — |
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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118851848-A | Method for constructing alpha-arylamine compound by palladium-catalyzed alkylamine alpha-arylation reaction | 西湖大学 | 2024-10-29 | — | — | CN | claimed |
| CN-115490730-B | Method for synthesizing selenium/sulfur ligand based on chiral BIDIME | 安徽泽升科技有限公司 | 2023-04-21 | — | — | CN | claimed |
| CN-105541569-B | A kind of 1 benzyloxy 2 [2（3 methoxyphenyls）Vinyl] benzene synthetic method | 苏州诚和医药化学有限公司 | 2017-11-07 | — | — | CN | claimed |
| CN-1238423-C | Thermoplastic resin composition and molded object thereof | POLYPLASTICS CO (JP) | 2006-01-25 | — | — | CN | claimed |
| CN-118851848-A | Method for constructing alpha-arylamine compound by palladium-catalyzed alkylamine alpha-arylation reaction | 西湖大学 | 2024-10-29 | — | — | CN | disclosed |
| CN-118695762-A | Preparation method of composite material, light-emitting device and electronic equipment | TCL科技集团股份有限公司 | 2024-09-24 | — | — | CN | disclosed |
| CN-114751937-B | Preparation method and application of phosphine ligand Baryphos intermediate | 宁波赜军医药科技有限公司 | 2024-06-25 | — | — | CN | disclosed |
| CN-115490730-B | Method for synthesizing selenium/sulfur ligand based on chiral BIDIME | 安徽泽升科技有限公司 | 2023-04-21 | — | — | CN | disclosed |
| CN-115087659-A | Antiviral compounds | 吉利德科学公司 | 2022-09-20 | — | — | CN | disclosed |
| EP-3328849-B9 | 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS | PFIZER (US) | 2021-01-06 | — | — | EP | disclosed |
| EP-3328849-B1 | 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS | PFIZER (US) | 2020-09-09 | — | — | EP | disclosed |
| US-20170056510-A1 | TARGETED THERAPEUTICS | SYNTA PHARMACEUTICALS CORP. (US) | 2017-03-02 | — | — | US | disclosed |
| EP-0703916-A1 | 14-SUBSTITUTED MARCFORTINES AND DERIVATIVES USEFUL AS ANTIPARASITIC AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 1996-04-03 | — | — | EP | disclosed |
| WO-1994029319-A1 | 14-SUBSTITUTED MARCFORTINES AND DERIVATIVES USEFUL AS ANTIPARASITIC AGENTS | THE UPJOHN COMPANY (US) | 1994-12-22 | — | — | WO | disclosed |
| EP-0613479-A1 | MARCFORTINE/PARAHERQUAMIDE DERIVATIVES USEFUL AS ANTIPARASITIC AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 1994-09-07 | — | — | EP | disclosed |
| WO-1993010120-A1 | MARCFORTINE/PARAHERQUAMIDE DERIVATIVES USEFUL AS ANTIPARASITIC AGENTS | THE UPJOHN COMPANY (US) | 1993-05-27 | — | — | WO | disclosed |
| EP-0046330-A2 | Process for the preparation of nickel ylides containing sulfonated group V ligands | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1982-02-24 | — | — | EP | disclosed |
| EP-0046329-A1 | Process for the oligomerization of ethylene | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1982-02-24 | — | — | EP | disclosed |
| EP-0046331-A2 | Nickel ylides | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1982-02-24 | — | — | EP | disclosed |
| EP-0046328-A1 | Process for the oligomerization of ethylene in methanol | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1982-02-24 | — | — | EP | disclosed |