⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11229821 | 0.97 | TSHR (0.50) | — | |
| SCHEMBL7788025 | 0.97 | ANPEP (0.43) | — | |
| SCHEMBL733804 | 0.97 | TSHR (0.50) | — | |
| SCHEMBL9776618 | 0.97 | TSHR (0.50) | — | |
| SCHEMBL6746369 | 0.97 | TSHR (0.50) | — | |
| SCHEMBL3888791 | 0.90 | — | — | |
| SCHEMBL6748891 | 0.80 | TSHR (0.44) | — | |
| Hexane SCHEMBL2922117 | 0.78 | TSHR (0.58) | — | |
| SCHEMBL6741851 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL11594245 | 0.78 | TSHR (0.50) | — |
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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106831444-A | A kind of valeronitrile hydro-reduction synthesizes the method for n-amylamine | 浙江优创材料科技股份有限公司 | 2017-06-13 | — | — | CN | disclosed |
| CN-106582656-A | Synthesis method for nickel-base composite catalyst used for synthesizing n-amylamine from pentanenitrile | 浙江优创材料科技股份有限公司 | 2017-04-26 | — | — | CN | disclosed |
| US-9029539-B2 | Metal complexes with bipodal ligands | MERCK PATENT GMBH (DE) | 2015-05-12 | — | — | US | disclosed |
| US-8097348-B2 | Pi-conjugated organoboron polymers in thin-film organic electronic devices | TDA RESEARCH, INC. (US) | 2012-01-17 | — | — | US | disclosed |
| US-20090127547-A1 | PI-CONJUGATED ORGANOBORON POLYMERS IN THIN-FILM ORGANIC ELECTRONIC DEVICES | TDA RESEARCH, INC. | 2009-05-21 | — | — | US | disclosed |
| WO-2007109629-A2 | PI-CONJUGATED ORGANOBORON POLYMERS IN THIN-FILM ORGANIC ELECTRONIC DEVICES | TDA RESEARCH, INC. (US) | 2007-09-27 | — | — | WO | disclosed |
| US-20070082284-A1 | Metal complexes with bipodal ligands | MERCK PATENT GMBH (DE) | 2007-04-12 | — | — | US | disclosed |
| CN-1894269-A | Metal complexes with bipodal ligands | MERCK PATENT GMBH (DE) | 2007-01-10 | — | — | CN | disclosed |
| CN-1196719-C | Procatalysts including bidentate ligands, catalyst systems and their use in olefin polymerization | EASTMAN CHEM CO (US) | 2005-04-13 | — | — | CN | disclosed |
| CN-1144821-C | Procatalysts comprising bidentate ligands, catalyst systems, and use in olefin polymerization | 伊斯曼化学公司 | 2004-04-07 | — | — | CN | disclosed |
| EP-0185521-A1 | Polymerization catalyst, production and use | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1986-06-25 | — | — | EP | disclosed |
| EP-0185520-A1 | Polymerization catalyst, production and use | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1986-06-25 | — | — | EP | disclosed |
| US-4579834-A | Polymerization catalyst, production and use | EXXON RESEARCH & ENGINEERING CO. (US) | 1986-04-01 | — | — | US | disclosed |
| US-4578374-A | Polymerization catalyst, production and use | EXXON RESEARCH & ENGINEERING CO. (US) | 1986-03-25 | — | — | US | disclosed |
| EP-0174102-A1 | Polymerization catalyst, production and use | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1986-03-12 | — | — | EP | disclosed |
| EP-0174104-A1 | Polymerization catalyst, production and use | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1986-03-12 | — | — | EP | disclosed |
| EP-0173488-A1 | Polymerization catalyst, production and use | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1986-03-05 | — | — | EP | disclosed |
| EP-0173487-A1 | Polymerization catalyst, production and use | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1986-03-05 | — | — | EP | disclosed |
| US-4558025-A | COORDINATION CATALYST | EXXON RESEARCH & ENGINEERING CO. (US) | 1985-12-10 | — | — | US | disclosed |
| US-4558024-A | COORDINATION CATALYST | EXXON RESEARCH & ENGINEERING CO. (US) | 1985-12-10 | — | — | US | disclosed |