⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7167685 | 1.00 | — | — | |
| SCHEMBL3811100 | 0.82 | ALDH1A1 (0.41) | — | |
| SCHEMBL27639347 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL27380455 | 0.80 | — | — | |
| SCHEMBL27663199 | 0.79 | ALDH1A1 (0.43) | — | |
| SCHEMBL5079168 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL7163845 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL7163843 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL10781709 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL161379 | 0.77 | ALDH1A1 (0.36) | — |
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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4504676-A | Preparation of diacyloxybutenes | BASF AKTIENGESELLSCHAFT (DE) | 1985-03-12 | — | — | US | claimed |
| EP-0063320-A1 | Process for the preparation of acyloxybutenes | BASF Aktiengesellschaft (DE) | 1982-10-27 | — | — | EP | claimed |
| EP-0027979-B1 | PROCESS FOR PREPARING ACYLOXY BUTENES | BASF Aktiengesellschaft (DE) | 1982-06-23 | — | — | EP | claimed |
| EP-0027979-A1 | Process for preparing acyloxy butenes | BASF Aktiengesellschaft (DE) | 1981-05-06 | — | — | EP | claimed |
| US-6559241-B2 | Process for producing a hydrogenated polymer | KURARAY CO., LTD. (JP) | 2003-05-06 | — | — | US | disclosed |
| US-20020137854-A1 | Process for producing a hydrogenated polymer | KURARAY CO. LTD. (JP) | 2002-09-26 | — | — | US | disclosed |
| EP-1241189-A1 | Process for producing a hydrogenated polymer | KURARAY CO., LTD. (JP) | 2002-09-18 | — | — | EP | disclosed |
| US-5639919-A | REARRANGEMENT USING HYDROBROMIC ACID OR POTASSIUM CARBONATE | RHONE-POULENC NUTRITION ANIMALE (FR) | 1997-06-17 | — | — | US | disclosed |
| US-5563297-A | CATALYTIC REARRANGEMENT OF A CARBONATE COMPOUND | RHONE-POULENC NUTRITION ANIMALE (FR) | 1996-10-08 | — | — | US | disclosed |
| US-4994568-A | Intermediates for 6-,1- and 2-substituted carbapenem antibiotics | MERCK & CO., INC. (US) | 1991-02-19 | — | — | US | disclosed |
| EP-0054917-B1 | 6- AND 4-SUBSTITUTED-1-AZABICYCLO(3.2.0)HEPTAN-3,7-DIONE-2-CARBOXYLATES | MERCK & CO. INC. (US) | 1988-03-09 | — | — | EP | disclosed |
| EP-0087097-B1 | 2-ALKYL-1,3-DIACYLOXY-4-HYDROXY-1-BUTENES, THEIR PREPARATION AND USE | BASF Aktiengesellschaft (DE) | 1987-05-13 | — | — | EP | disclosed |
| EP-0042098-A2 | Process for the preparation of 1-butene-3,4-diolemonoesters and 1-butene-3-alkyl-3,4-diolemonoesters | BASF Aktiengesellschaft (DE) | 1981-12-23 | — | — | EP | disclosed |
| EP-0027979-A1 | Process for preparing acyloxy butenes | BASF Aktiengesellschaft (DE) | 1981-05-06 | — | — | EP | disclosed |
| US-4260627-A | 1-, 6- And 2-substituted-1-carba-2-penem-3-carboxylic acids | MERCK & CO., INC. (US) | 1981-04-07 | — | — | US | disclosed |
| EP-0005452-B1 | ACYLOXY-2-BUTENES, THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF 4-ACETOXYTIGLINALDEHYDE | BASF Aktiengesellschaft (DE) | 1980-10-01 | — | — | EP | disclosed |
| US-4206219-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1980-06-03 | — | — | US | disclosed |
| EP-0010316-A1 | 1-, 6- and 2-substituted-1-carba-2-penem-3-carboxylic acids, process for preparing the same and pharmaceutical compositions containing the same | MERCK & CO. INC. (US) | 1980-04-30 | — | — | EP | disclosed |
| EP-0010317-A1 | 6-, 1- and 2-substituted-1-carbapen-2-em-3-carboxylic acids, processes for the preparation of such compounds and pharmaceutical composition comprising such compounds | MERCK & CO. INC. (US) | 1980-04-30 | — | — | EP | disclosed |
| EP-0005452-A1 | Acyloxy-2-butenes, their preparation and their use for the preparation of 4-acetoxytiglinaldehyde | BASF Aktiengesellschaft (DE) | 1979-11-28 | — | — | EP | disclosed |