⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19068079 | 1.00 | — | — | |
| SCHEMBL19075324 | 1.00 | — | — | |
| SCHEMBL18492988 | 0.95 | — | — | |
| SCHEMBL20647859 | 0.95 | — | — | |
| SCHEMBL6536997 | 0.95 | — | — | |
| SCHEMBL19114680 | 0.95 | — | — | |
| SCHEMBL8636899 | 0.95 | — | — | |
| SCHEMBL9791504 | 0.95 | — | — | |
| SCHEMBL1648918 | 0.95 | — | — | |
| SCHEMBL11349568 | 0.95 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104136402-B | Hydroalkylation process | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2015-12-09 | — | — | CN | disclosed |
| CN-103261126-B | Process of producing cyclohexylbenzene | EXXONMOBIL CHEM PATENTS INC | 2015-04-01 | — | — | CN | disclosed |
| CN-104136402-A | HYDROALKYLATION PROCESS | EXXONMOBIL CHEM PATENTS INC | 2014-11-05 | — | — | CN | disclosed |
| CN-104105679-A | Process for producing cyclohexylbenzene | EXXONMOBIL CHEM PATENTS INC | 2014-10-15 | — | — | CN | disclosed |
| CN-103261126-A | Process of producing cyclohexylbenzene | EXXON MOBIL CHEM PATENTS INC | 2013-08-21 | — | — | CN | disclosed |
| EP-0572570-A1 | HYDROCARBON/CO-SOLVENT SPIN LIQUIDS FOR FLASH-SPINNING POLYMERIC PLEXIFILAMENTS. | DU PONT (US) | 1993-12-08 | — | — | EP | disclosed |
| US-4874488-A | USING MERCURY CATALYST AND ULTRAVIOLET RADIATION | YALE UNIVERSITY (US) | 1989-10-17 | — | — | US | disclosed |
| EP-0288557-A1 | PHOTOCHEMICAL DIMERIZATION AND FUNCTIONALIZATION OF ALKANES, ETHERS, PRIMARY AND SECONDARY ALCOHOLS, PHOSPHINE OXIDES AND SILANES | YALE UNIVERSITY (US) | 1988-11-02 | — | — | EP | disclosed |
| WO-1988003436-A1 | PHOTOCHEMICAL DIMERIZATION AND FUNCTIONALIZATION OF ALKANES, ETHERS, PRIMARY AND SECONDARY ALCOHOLS, PHOSPHINE OXIDES AND SILANES | YALE UNIVERSITY (US) | 1988-05-19 | — | — | WO | disclosed |
| US-4725342-A | REFLUXING SUBSTRATE SO PRODUCT CONDENSES AS FORMED | YALE UNIVERSITY (US) | 1988-02-16 | — | — | US | disclosed |
| US-4300008-A | TANTALUM PENTAFLUORIDE OR NIOBIUM PENTAFLUORIDE ISOMERIZATION CATALYSTS | STANDARD OIL COMPANY (INDIANA) (US) | 1981-11-10 | — | — | US | disclosed |