⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2166062 | 1.00 | — | — | |
| SCHEMBL11048389 | 1.00 | — | — | |
| SCHEMBL271027 | 0.89 | ALDH1A1 (0.50) | — | |
| SCHEMBL221749 | 0.89 | ALDH1A1 (0.50) | — | |
| SCHEMBL74779 | 0.89 | ALDH1A1 (0.50) | — | |
| SCHEMBL14296530 | 0.82 | ALDH1A1 (0.47) | — | |
| SCHEMBL31508640 | 0.82 | ALDH1A1 (0.47) | — | |
| SCHEMBL14664060 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL4952015 | 0.80 | — | — | |
| SCHEMBL4740509 | 0.80 | — | — |
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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6300515-B1 | ISOMERIZING AT LEAST ONE ALLYLIC SUBSTRATE HAVING ACYLOXYL GROUP OR HYDROXYL GROUP AT ALLYL POSITION THEREOF, TO PRODUCE CORRESPONDING ALLYLIC ISOMER, IN PRESENCE OF CATALYST COMPRISING GROUP VIII-X METAL COMPOUND AND PHOSPHITE COMPOUND | MITSUBISHI CHEMICAL CORPORATION (JP) | 2001-10-09 | — | — | US | claimed |
| JP-10237018-A | — | — | None | — | — | JP | disclosed |
| US-10065938-B2 | Method for producing hydride using unsaturated compound having carbon number of 4 as raw material | MITSUBISHI CHEMICAL CORPORATION (JP) | 2018-09-04 | — | — | US | disclosed |
| US-20170369426-A1 | ANTIBACTERIAL AGENTS | ACHAOGEN, INC. | 2017-12-28 | — | — | US | disclosed |
| US-9701622-B2 | Antibacterial agents | ACHAOGEN, INC. (US) | 2017-07-11 | — | — | US | disclosed |
| US-9701622-B2 | Antibacterial agents | ACHAOGEN, INC. (US) | 2017-07-11 | — | — | US | disclosed |
| US-9522897-B2 | Method for producing hydride using unsaturated compound having carbon number of 4 as raw material | MITSUBISHI CHEMICAL CORPORATION (JP) | 2016-12-20 | — | — | US | disclosed |
| US-20160297786-A1 | METHOD FOR PRODUCING HYDRIDE USING UNSATURATED COMPOUND HAVING CARBON NUMBER OF 4 AS RAW MATERIAL | MITSUBISHI CHEMICAL CORPORATION (JP) | 2016-10-13 | — | — | US | disclosed |
| US-20160280639-A1 | ANTIBACTERIAL AGENTS | ACHAOGEN, INC. | 2016-09-29 | — | — | US | disclosed |
| US-20160280639-A1 | ANTIBACTERIAL AGENTS | ACHAOGEN, INC. | 2016-09-29 | — | — | US | disclosed |
| EP-0110309-B1 | PROCESS FOR THE PREPARATION OF 1,4-DIACYLOXY-1,3-BUTADIENES | BASF Aktiengesellschaft (DE) | 1986-02-19 | — | — | EP | disclosed |
| EP-0110309-A1 | Process for the preparation of 1,4-diacyloxy-1,3-butadienes | BASF Aktiengesellschaft (DE) | 1984-06-13 | — | — | EP | disclosed |
| US-4287356-A | BY REACTING BUTADIENE WITH OXYGEN AND A CARBOXYLIC ACID IN THE PRESENCE OF A PALLADIUM AND COBALT-CONTAINING CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 1981-09-01 | — | — | US | disclosed |
| US-4262139-A | CATALYTIC ACETOXYLATION OF BUTADIENE | BASF AKTIENGESELLSCHAFT (DE) | 1981-04-14 | — | — | US | disclosed |
| US-4239910-A | ACYLOXYLATION OF BUTADIENE | BASF AKTIENGESELLSCHAFT (DE) | 1980-12-16 | — | — | US | disclosed |
| US-4233455-A | REACTION OF A CONJUGATED DIOLEFIN, OXYGEN AND A FATTY ACID OVER A METAL CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 1980-11-11 | — | — | US | disclosed |
| US-4212976-A | ANTIARTHRITIC AGENTS | MERCK & CO., INC. (US) | 1980-07-15 | — | — | US | disclosed |
| US-4124600-A | VAPOR PHASE REACTION OF 1,4-BUTANEDIOL MONOESTER, PHOSPHORIC ACID CATALYST | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1978-11-07 | — | — | US | disclosed |
| US-4057637-A | RHEUMATOID ARTHRITIS | MERCK & CO., INC. (US) | 1977-11-08 | — | — | US | disclosed |
| US-3971797-A | ANTIARTHRITIC | MERCK & CO., INC. (US) | 1976-07-27 | — | — | US | disclosed |