⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3661818 | 0.95 | — | — | |
| SCHEMBL23367 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL28407312 | 0.90 | — | — | |
| SCHEMBL3681629 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL9220696 | 0.90 | — | — | |
| SCHEMBL29088079 | 0.90 | — | — | |
| SCHEMBL114354 | 0.90 | — | — | |
| SCHEMBL12487242 | 0.90 | — | — | |
| SCHEMBL28112557 | 0.90 | — | — | |
| SCHEMBL27861403 | 0.90 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4188380-A | Surface active quaternary higher dialkyl phosphonium salt biocides and intermediates | EXXON RESEARCH & ENGINEERING CO. (US) | 1980-02-12 | — | — | US | claimed |
| US-3998754-A | BACTERICIDES, FUNGICIDES AND ALGICIDES; INTERMEDIATES OF QUATERNARY PHOSPHONIUM CLAYS | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1976-12-21 | — | — | US | claimed |
| CN-113788858-A | Ligand for catalyzing enol hydroformylation reaction to prepare linear dihydric alcohol and preparation method and application thereof | 万华化学集团股份有限公司 | 2021-12-14 | — | — | CN | disclosed |
| US-4390729-A | Process for carbonylation using tetraalkyl phosphonium substituted phosphine and amine transition metal complexes as catalyst | EXXON RESEARCH AND ENGINEERING CO. (US) | 1983-06-28 | — | — | US | disclosed |
| US-4302401-A | Tetraalkyl phosphonium substituted phosphine and amine transition metal complexes | EXXON RESEARCH & ENGINEERING CO. (US) | 1981-11-24 | — | — | US | disclosed |
| EP-0023924-A4 | TETRAALKYL PHOSPHONIUM SUBSTITUTED PHOSPHINE AND AMINE SUBSTITUTED TRANSITION METAL COMPLEXES. | EXXON RESEARCH ENGINEERING CO (US) | 1981-07-16 | — | — | EP | disclosed |
| EP-0023924-A1 | TETRAALKYL PHOSPHONIUM SUBSTITUTED PHOSPHINE AND AMINE SUBSTITUTED TRANSITION METAL COMPLEXES. | EXXON RESEARCH ENGINEERING CO (US) | 1981-02-18 | — | — | EP | disclosed |
| WO-1980001692-A1 | TETRAALKYL PHOSPHONIUM SUBSTITUTED TRANSITION METAL COMPLEXES | EXXON RESEARCH ENGINEERING CO (US) | 1980-08-21 | — | — | WO | disclosed |
| US-4136103-A | MICROSTRUCTURE, HEAT RESISTANCE, THIXOTROPY IN ORGANIC LIQUIDS | EXXON RESEARCH & ENGINEERING CO. (US) | 1979-01-23 | — | — | US | disclosed |