⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11364592 | 1.00 | — | — | |
| SCHEMBL7862517 | 1.00 | — | — | |
| SCHEMBL11369761 | 0.91 | ALDH1A1 (0.38) | — | |
| SCHEMBL11369763 | 0.91 | ALDH1A1 (0.38) | — | |
| SCHEMBL10828001 | 0.90 | ALDH1A1 (0.34) | — | |
| SCHEMBL10827997 | 0.90 | ALDH1A1 (0.34) | — | |
| SCHEMBL11039206 | 0.87 | ALDH1A1 (0.46) | — | |
| SCHEMBL11039208 | 0.87 | ALDH1A1 (0.46) | — | |
| SCHEMBL9179150 | 0.87 | ALDH1A1 (0.39) | — | |
| SCHEMBL9179156 | 0.87 | ALDH1A1 (0.39) | — |
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 36 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 |
| 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-20160280639-A1 | ANTIBACTERIAL AGENTS | ACHAOGEN, INC. | 2016-09-29 | — | — | US | disclosed |
| US-20160280639-A1 | ANTIBACTERIAL AGENTS | ACHAOGEN, INC. | 2016-09-29 | — | — | US | disclosed |
| US-9403758-B2 | Antibacterial agents | ACHAOGEN, INC. (US) | 2016-08-02 | — | — | US | disclosed |
| US-9403758-B2 | Antibacterial agents | ACHAOGEN, INC. (US) | 2016-08-02 | — | — | US | disclosed |
| US-20160016895-A1 | ANTIBACTERIAL AGENTS | ACHAOGEN, INC. | 2016-01-21 | — | — | US | disclosed |
| US-20160016895-A1 | ANTIBACTERIAL AGENTS | ACHAOGEN, INC. | 2016-01-21 | — | — | US | disclosed |
| US-4292244-A | Novel 2,4-disubstituted pyran derivatives, their preparation and their use as scents | BASF AKTIENGESELLSCHAFT (DE) | 1981-09-29 | — | — | US | disclosed |
| US-4284796-A | Preparation of 4-acyloxy-2-methyl-crotonaldehydes | BASF AKTIENGESELLSCHAFT (DE) | 1981-08-18 | — | — | US | disclosed |
| EP-0010656-B1 | PROCESS FOR THE PREPARATION OF 4-ACYLOXY-2-METHYLCROTONALDEHYDES | BASF Aktiengesellschaft (DE) | 1981-04-22 | — | — | EP | disclosed |
| EP-0021013-A1 | 2,4-Disubstituted pyran derivatives, their preparation and their application as perfuming agents | BASF Aktiengesellschaft (DE) | 1981-01-07 | — | — | EP | disclosed |
| EP-0010656-A1 | Process for the preparation of 4-acyloxy-2-methylcrotonaldehydes | BASF Aktiengesellschaft (DE) | 1980-05-14 | — | — | EP | disclosed |
| US-4161608-A | 11 Hydroxy methyl 11-deoxyprostaglandin E1 | AYERST, MCKENNA AND HARRISON LIMITED (CA) | 1979-07-17 | — | — | US | disclosed |
| US-4100343-A | 11-Deoxyprostaglandin derivatives | AYERST, MCKENNA & HARRISON LIMITED (CA) | 1978-07-11 | — | — | US | disclosed |
| US-4089898-A | 11-Deoxyprostaglandin derivatives | AYERST, MCKENNA & HARRISON LTD. (CA) | 1978-05-16 | — | — | US | disclosed |
| US-4036856-A | PROSTAGLANDINS | AYERST MCKENNA AND HARRISON LTD. (CA) | 1977-07-19 | — | — | US | disclosed |
| US-4006136-A | Prostaglandin intermediates | AYERST MCKENNA AND HARRISON LTD. (CA) | 1977-02-01 | — | — | US | disclosed |