⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5439775 | 1.00 | — | — | |
| SCHEMBL18684039 | 1.00 | — | — | |
| SCHEMBL23652660 | 1.00 | — | — | |
| SCHEMBL28608672 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL22476658 | 0.79 | — | — | |
| SCHEMBL25785827 | 0.78 | — | — | |
| SCHEMBL18431012 | 0.77 | ALDH1A1 (0.47) | — | |
| SCHEMBL6430277 | 0.77 | ALDH1A1 (0.47) | — | |
| SCHEMBL5599864 | 0.77 | — | — | |
| SCHEMBL18407085 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7179367-B2 | Process for producing reformate having increased xylenes content and reduced ethylbenzene content | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-02-20 | — | — | US | claimed |
| US-7067052-B2 | Process for the production of reformate having reduced ethylbenzene content | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-06-27 | — | — | US | claimed |
| US-20050000860-A1 | Process for producing reformate having increased xylenes content and reduced ethylbenzene content | EXXONMOBIL CHEMICAL PATENTS INC. | 2005-01-06 | — | — | US | claimed |
| US-20050000859-A1 | Process for the production of reformate having reduced ethylbenzene content | EXXONMOBIL CHEMICAL PATENTS INC. | 2005-01-06 | — | — | US | claimed |
| US-4468477-A | Production of catalyst component, catalyst and use thereof | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-08-28 | — | — | US | claimed |
| US-4182816-A | STEREOSPECIFIC COORDINATION CATALYST | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1980-01-08 | — | — | US | claimed |
| US-4108796-A | OLEFIN POLYMERIZATION CATALYST, GRINDING A TITANIUM TRIHALIDE WITH AN ORGANO PHOSPHORUS LEWIS BASE | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1978-08-22 | — | — | US | claimed |
| US-7179367-B2 | Process for producing reformate having increased xylenes content and reduced ethylbenzene content | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-02-20 | — | — | US | disclosed |
| US-7067052-B2 | Process for the production of reformate having reduced ethylbenzene content | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-06-27 | — | — | US | disclosed |
| US-7053258-B2 | Process for selectively producing aromatic compounds | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-05-30 | — | — | US | disclosed |
| US-20050000860-A1 | Process for producing reformate having increased xylenes content and reduced ethylbenzene content | EXXONMOBIL CHEMICAL PATENTS INC. | 2005-01-06 | — | — | US | disclosed |
| US-20050000859-A1 | Process for the production of reformate having reduced ethylbenzene content | EXXONMOBIL CHEMICAL PATENTS INC. | 2005-01-06 | — | — | US | disclosed |
| US-20030105372-A1 | Process for selectively producing aromatic compounds | EXXONMOBIL CHEMICAL PATENTS INC. | 2003-06-05 | — | — | US | disclosed |
| US-4193893-A | GRINDING METAL COMPOUND WITH A CARBOXYLIC ACID OR ESTER AND AN ORGANO-LEWIS BASE; POLYMERIZATION CATALYST | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1980-03-18 | — | — | US | disclosed |
| US-4182816-A | STEREOSPECIFIC COORDINATION CATALYST | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1980-01-08 | — | — | US | disclosed |
| EP-0000997-A1 | Titanium trichloride compositions, preparation thereof, catalyst system containing them and polymerisation of olefins using this system | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1979-03-07 | — | — | EP | disclosed |
| US-4120882-A | NICKEL COMPLEXED WITH PHOSPHINE, PHOSPHITE, STILBENE, OR ARSINE LIGANDS, CATALYSTS | STUDIENGESELLSCHAFT KOHLE M.B.H. (DE) | 1978-10-17 | — | — | US | disclosed |
| US-4108796-A | OLEFIN POLYMERIZATION CATALYST, GRINDING A TITANIUM TRIHALIDE WITH AN ORGANO PHOSPHORUS LEWIS BASE | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1978-08-22 | — | — | US | disclosed |
| US-4017526-A | CATALYSTS FOR DIMERIZATION AND TRIMERIZATION OF CONJUGATED DIOLEFINS | STUDIENGESELLSCHAFT KOHLE M.B.H. (DT) | 1977-04-12 | — | — | US | disclosed |
| US-3957894-A | CYCLIZATION, IRON COMPOUNDS, ORGANOALUMINUM COMPOUNDS, NITRIC OXIDE | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JA) | 1976-05-18 | — | — | US | disclosed |