⚠ 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 | |
|---|---|---|---|---|
| Isobutanol SCHEMBL29794999 | 1.00 | TSHR (0.75) | — | |
| Isobutanol SCHEMBL969 | 0.87 | — | — | |
| Isobutanol SCHEMBL11800894 | 0.87 | TSHR (1.00) | — | |
| Isobutanol SCHEMBL175952 | 0.87 | TSHR (1.00) | — | |
| Isobutanol SCHEMBL10623061 | 0.83 | TSHR (0.75) | — | |
| Isobutanol SCHEMBL17825896 | 0.83 | — | — | |
| Isobutanol SCHEMBL3686201 | 0.83 | — | — | |
| Isobutanol SCHEMBL23672280 | 0.82 | — | — | |
| Isobutanol SCHEMBL2277484 | 0.82 | — | — | |
| Isobutanol SCHEMBL1308019 | 0.82 | TSHR (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5939352-A | FORMING A NOBLE METAL LOADED ALKALI METAL DOPED MANGANESE, ZINC AND ZIRCONIUM OXIDE BY COPRECIPITATING, WASHING, CALCINING, DRYING, HYDROGENATING TO ACTIVATE THE CATALYST | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1999-08-17 | — | — | US | claimed |
| US-6034141-A | NOBLE METAL OXIDE O SUPPORT | EXXON RESEARCH AND ENGINEERING CO. (US) | 2000-03-07 | — | — | US | disclosed |
| US-5939352-A | FORMING A NOBLE METAL LOADED ALKALI METAL DOPED MANGANESE, ZINC AND ZIRCONIUM OXIDE BY COPRECIPITATING, WASHING, CALCINING, DRYING, HYDROGENATING TO ACTIVATE THE CATALYST | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1999-08-17 | — | — | US | disclosed |
| US-5908807-A | ZIRONIUM, MANGANESE AND ZINC OXIDES | EXXON RESEARCH AND ENGINEERING CO. (US) | 1999-06-01 | — | — | US | disclosed |
| US-5811602-A | CONTACTING A FEED CONTAINING METHANOL IN COMBINATION WITH ONE OR MORE OF ETHANOL, N-PROPANOL, ETHYLENE AND PROPYLENE WITH SYNGAS IN THE PRESENCE OF A CATALYST | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| US-5770541-A | A NOBLE MEATAL SUPPORTED ON FIRST PHASE MIXED OXIDE CRYSTALLITE CONTAINING ZIRCONIUM, ZINC, MANGANESE AND TRACE AMOUNT OF ALKALI, SECOND PHASE IS ZIRCONIUM DOPED HETAROLITE, THIRD PHASE MIXED OXIDES WITH OPTIONAL TRACE AMOUNT OF ALKALI | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1998-06-23 | — | — | US | disclosed |
| US-5707920-A | ALKYLATION CATALYSTS FOR ALKYLATION OF ALCOHOLS TO FORM ISOBUTANOL BY DEHYDRATION | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1998-01-13 | — | — | US | disclosed |