⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7872060 | 0.81 | — | — | |
| SCHEMBL7872314 | 0.80 | — | — | |
| SCHEMBL11737719 | 0.79 | OPRM1 (0.48) | — | |
| SCHEMBL27497841 | 0.76 | — | — | |
| SCHEMBL7863981 | 0.75 | — | — | |
| SCHEMBL7872945 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL7872148 | 0.73 | — | — | |
| SCHEMBL27842490 | 0.73 | TSHR (0.36) | — | |
| SCHEMBL6112958 | 0.73 | — | — | |
| SCHEMBL4755462 | 0.73 | — | — |
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-105713213-B | A kind of preparation method of the poly- pyrrole throat film based on molecule assembling | 江西师范大学 | 2018-11-06 | — | — | CN | disclosed |
| CN-105713213-A | Molecule assembling-based preparation method of polypyrrolone membrane | 江西师范大学 | 2016-06-29 | — | — | CN | disclosed |
| US-8115039-B2 | Catalytic distillation process for primary haloalkanes | SHELL OIL COMPANY (US) | 2012-02-14 | — | — | US | disclosed |
| US-20090270655-A1 | Conversion of Alkylhalides Into Alcohol Alkoxylates | SHELL OIL COMPANY | 2009-10-29 | — | — | US | disclosed |
| US-20090054274-A1 | Formation of Heteroatom Containing Derivatives of Paraffins | SHELL OIL COMPANY | 2009-02-26 | — | — | US | disclosed |
| US-20090032437-A1 | Catalytic Distillation Process for Primary Haloalkanes | SHELL OIL COMPANY | 2009-02-05 | — | — | US | disclosed |
| WO-2006104884-A2 | CONVERSION OF ALKYLHALIDES INTO ALCOHOL ALKOXYLATES | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2006-10-05 | — | — | WO | disclosed |
| WO-2006104909-A2 | CATALYTIC DISTILLATION PROCESS FOR PRIMARY HALOALKANES | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2006-10-05 | — | — | WO | disclosed |
| WO-2006104883-A1 | FORMATION OF HETEROATOM CONTAINING DERIVATIVES OF PARAFFINS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2006-10-05 | — | — | WO | disclosed |
| EP-0719839-B1 | Phthalocyanine compounds and optical recording media comprising them | MITSUI CHEMICALS INC (JP) | 2001-07-25 | — | — | EP | disclosed |
| US-6060325-A | Detection and monitoring of toxic halogenated compounds | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 2000-05-09 | — | — | US | disclosed |
| EP-0908925-A2 | Determining halogen toxicity level of halogenated compounds | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1999-04-14 | — | — | EP | disclosed |
| US-5693396-A | NEAR INFRARED LIGHT ABSORBERS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-12-02 | — | — | US | disclosed |
| EP-0719839-A2 | Phthalocyanine compounds and optical recording media comprising them | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-07-03 | — | — | EP | disclosed |