⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7082407 | 1.00 | — | — | |
| SCHEMBL11980195 | 0.79 | — | — | |
| SCHEMBL9788004 | 0.79 | — | — | |
| SCHEMBL1786206 | 0.75 | — | — | |
| SCHEMBL1786208 | 0.75 | — | — | |
| SCHEMBL1783596 | 0.75 | PTPN1 (0.42) | — | |
| SCHEMBL1783597 | 0.75 | PTPN1 (0.42) | — | |
| SCHEMBL16273089 | 0.71 | — | — | |
| SCHEMBL12152651 | 0.71 | PTPN1 (0.40) | — | |
| SCHEMBL9418065 | 0.70 | 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0316672-B1 | PROCESS FOR THE PREPARATION OF GLYOXAL MONOACETALS | BASF Aktiengesellschaft (DE) | 1993-06-09 | — | — | EP | disclosed |
| EP-0235532-B1 | PROCESS FOR THE PREPARATION OF 4-MONOACETALS OF 2-METHYL-2-BUTENE-1,4-DIAL | BASF Aktiengesellschaft (DE) | 1989-06-14 | — | — | EP | disclosed |
| EP-0316672-A1 | Process for the preparation of glyoxal monoacetals | BASF Aktiengesellschaft (DE) | 1989-05-24 | — | — | EP | disclosed |
| US-4804786-A | HYDROLYSIS OR ALCOHOLYSIS OF BISACETALS IN PRESENCE OF ACID CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 1989-02-14 | — | — | US | disclosed |
| EP-0235532-A1 | Process for the preparation of 4-monoacetals of 2-methyl-2-butene-1,4-dial | BASF Aktiengesellschaft (DE) | 1987-09-09 | — | — | EP | disclosed |
| EP-0068372-B1 | PROCESS FOR THE PREPARATION OF 2-ALKYL-4,4-DIACYLOXY-2-BUTENALS | BASF Aktiengesellschaft (DE) | 1984-12-05 | — | — | EP | disclosed |
| US-4410719-A | Preparation of 2-alkyl-4,4-diacyloxybut-2-enals | BASF AKTIENGESELLSCHAFT (DE) | 1983-10-18 | — | — | US | disclosed |
| EP-0068372-A1 | Process for the preparation of 2-alkyl-4,4-diacyloxy-2-butenals | BASF Aktiengesellschaft (DE) | 1983-01-05 | — | — | EP | disclosed |
| EP-0019112-B1 | PROCESS FOR THE PREPARATION OF CYCLIC ACETALS OF TRANS-4-CHLORO-3-METHYL-2-BUTEN-1-AL AND PREPARATION OF TRANS-3-METHYL-2-BUTEN-1,4-DIAL-MONOACETALS | BASF Aktiengesellschaft (DE) | 1982-11-17 | — | — | EP | disclosed |
| EP-0019112-B1 | PROCESS FOR THE PREPARATION OF CYCLIC ACETALS OF TRANS-4-CHLORO-3-METHYL-2-BUTEN-1-AL AND PREPARATION OF TRANS-3-METHYL-2-BUTEN-1,4-DIAL-MONOACETALS | BASF Aktiengesellschaft (DE) | 1982-11-17 | — | — | EP | disclosed |
| EP-0011758-B1 | PROCESS FOR PREPARING POLYENE ALDEHYDES | BASF Aktiengesellschaft (DE) | 1981-09-23 | — | — | EP | disclosed |
| US-4256643-A | INTERMEDIATES FOR TRANS-3-METHYL-BUT-2-ENE-1,4-DIAL-1-ACETALS | BASF AKTIENGESELLSCHAFT (DE) | 1981-03-17 | — | — | US | disclosed |
| US-4256643-A | INTERMEDIATES FOR TRANS-3-METHYL-BUT-2-ENE-1,4-DIAL-1-ACETALS | BASF AKTIENGESELLSCHAFT (DE) | 1981-03-17 | — | — | US | disclosed |
| EP-0019112-A1 | Process for the preparation of cyclic acetals of trans-4-chloro-3-methyl-2-buten-1-al and preparation of trans-3-methyl-2-buten-1,4-dial-monoacetals | BASF Aktiengesellschaft (DE) | 1980-11-26 | — | — | EP | disclosed |
| EP-0019112-A1 | Process for the preparation of cyclic acetals of trans-4-chloro-3-methyl-2-buten-1-al and preparation of trans-3-methyl-2-buten-1,4-dial-monoacetals | BASF Aktiengesellschaft (DE) | 1980-11-26 | — | — | EP | disclosed |
| EP-0019112-A1 | Process for the preparation of cyclic acetals of trans-4-chloro-3-methyl-2-buten-1-al and preparation of trans-3-methyl-2-buten-1,4-dial-monoacetals | BASF Aktiengesellschaft (DE) | 1980-11-26 | — | — | EP | disclosed |
| EP-0011758-A1 | Process for preparing polyene aldehydes | BASF Aktiengesellschaft (DE) | 1980-06-11 | — | — | EP | disclosed |
| EP-0009752-A1 | 3-Chloro-3-methyl-butane- or 3-methyl-2-butene-1,4-dial-bis acetals, process for their preparation and their use | BASF Aktiengesellschaft (DE) | 1980-04-16 | — | — | EP | disclosed |
| EP-0009752-A1 | 3-Chloro-3-methyl-butane- or 3-methyl-2-butene-1,4-dial-bis acetals, process for their preparation and their use | BASF Aktiengesellschaft (DE) | 1980-04-16 | — | — | EP | disclosed |
| US-4192806-A | Methyl fumaraldehyde monoacetals and process | BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DE) | 1980-03-11 | — | — | US | disclosed |