⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15604381 | 1.00 | — | — | |
| SCHEMBL9735109 | 1.00 | — | — | |
| SCHEMBL27718322 | 0.78 | ALDH1A1 (0.69) | — | |
| SCHEMBL29967410 | 0.78 | ALDH1A1 (0.69) | — | |
| SCHEMBL16946291 | 0.78 | ALDH1A1 (0.69) | — | |
| SCHEMBL27742180 | 0.78 | ALDH1A1 (0.69) | — | |
| SCHEMBL4958301 | 0.77 | — | — | |
| SCHEMBL4956495 | 0.77 | — | — | |
| SCHEMBL28178158 | 0.77 | — | — | |
| SCHEMBL283091 | 0.75 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5162552-A | PREPARATION OF 4-ACETALS OF BUTENE-1,4-DIAL AND NOVEL ACETALS OF BUTENE-1,4-DIAL | BASF AKTIENGESELLSCHAFT (DE) | 1992-11-10 | — | — | US | disclosed |
| EP-0246646-B1 | PROCESS FOR THE PREPARATION OF 4-ACETALS OF 1,4-BUTENE DIAL, AND ACETALS OF 1,4-BUTENE DIAL | BASF Aktiengesellschaft (DE) | 1991-01-09 | — | — | EP | disclosed |
| EP-0246646-A2 | Process for the preparation of 4-acetals of 1,4-butene dial, and acetals of 1,4-butene dial | BASF Aktiengesellschaft (DE) | 1987-11-25 | — | — | EP | disclosed |
| US-4656310-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1987-04-07 | — | — | US | disclosed |
| US-4532355-A | Substituted triaryl phosphonium derivatives | HOFFMANN-LA ROCHE INC. (US) | 1985-07-30 | — | — | US | disclosed |
| US-4319048-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1982-03-09 | — | — | US | disclosed |
| US-4224244-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1980-09-23 | — | — | US | disclosed |
| US-4215215-A | 9-Phenyl-nonate traene compounds | HOFFMANN-LA ROCHE INC. (US) | 1980-07-29 | — | — | US | disclosed |
| US-4187247-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1980-02-05 | — | — | US | disclosed |
| US-4163103-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1979-07-31 | — | — | US | disclosed |
| US-4105681-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1978-08-08 | — | — | US | disclosed |
| US-4054589-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1977-10-18 | — | — | US | disclosed |