⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27210153 | 0.82 | — | — | |
| SCHEMBL9363130 | 0.79 | — | — | |
| SCHEMBL1132149 | 0.75 | — | — | |
| SCHEMBL8134713 | 0.73 | — | — | |
| SCHEMBL20988199 | 0.73 | FDPS (0.32) | — | |
| SCHEMBL8466393 | 0.73 | — | — | |
| SCHEMBL19642487 | 0.71 | — | — | |
| SCHEMBL7946163 | 0.69 | — | — | |
| SCHEMBL7644337 | 0.69 | — | — | |
| SCHEMBL14318493 | 0.69 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170190729-A1 | POLYENE MACROLIDE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2017-07-06 | — | — | US | disclosed |
| EP-0657441-B1 | Cyclic acetals, processes for their production and conversion into herbicides | BASF AG (DE) | 2000-03-01 | — | — | EP | disclosed |
| US-5777118-A | PLANT SAFENING AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 1998-07-07 | — | — | US | disclosed |
| US-5569640-A | HERBICIDE | BASF AKTIENGESELLSCHAFT (DE) | 1996-10-29 | — | — | US | disclosed |
| EP-0657441-A2 | Cyclic acetals, processes for their production and conversion into herbicides | BASF Aktiengesellschaft (DE) | 1995-06-14 | — | — | EP | disclosed |
| EP-0373443-B1 | PROCESS FOR OBTAINING 2-ALKYL-BRANCHED ALKANALS FROM ALKANAL MIXTURES | BASF Aktiengesellschaft (DE) | 1993-03-03 | — | — | EP | disclosed |
| US-5026920-A | Obtaining alkanals having a 2-alkyl branch from alkanal mixtures | BASF AKTIENGESELLSCHAFT (DE) | 1991-06-25 | — | — | US | disclosed |
| EP-0373443-A2 | Process for obtaining 2-alkyl-branched alkanals from alkanal mixtures | BASF Aktiengesellschaft (DE) | 1990-06-20 | — | — | EP | disclosed |
| EP-0058927-B1 | PROCESS FOR THE PREPARATION OF ALPHA-ALKYL ACROLEINES | BASF Aktiengesellschaft (DE) | 1984-05-30 | — | — | EP | disclosed |
| US-4408079-A | Preparation of alpha-alkylacroleins | BASF AKTIENGESELLSCHAFT (DE) | 1983-10-04 | — | — | US | disclosed |
| EP-0058927-A1 | Process for the preparation of alpha-alkyl acroleines | BASF Aktiengesellschaft (DE) | 1982-09-01 | — | — | EP | disclosed |