⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9476869 | 1.00 | — | — | |
| SCHEMBL13703335 | 1.00 | — | — | |
| SCHEMBL15448059 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL7769047 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL7769045 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL28000764 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL919035 | 0.82 | — | — | |
| SCHEMBL7756647 | 0.79 | — | — | |
| SCHEMBL28880656 | 0.79 | — | — | |
| SCHEMBL12811117 | 0.77 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110603144-B | Vehicle structure with optimized crash performance | 奥迪股份公司 | 2021-12-28 | — | — | CN | disclosed |
| CN-110603144-A | Vehicle structure with optimized crash performance | 奥迪股份公司 | 2019-12-20 | — | — | CN | disclosed |
| EP-0835248-B1 | 1-AMINO-3-BENZYLURACILS | BASF AG (DE) | 2001-02-21 | — | — | EP | disclosed |
| EP-0835248-A1 | 1-AMINO-3-BENZYLURACILS | BASF AKTIENGESELLSCHAFT (DE) | 1998-04-15 | — | — | EP | disclosed |
| WO-1997001543-A1 | 1-AMINO-3-BENZYLURACILS | BASF AKTIENGESELLSCHAFT (DE) | 1997-01-16 | — | — | WO | disclosed |
| US-5250743-A | Reacting in acidic medium acyclic vinyl epoxide with water and/or alcohol to form inverted 1,2-dihydroxy-3-alkene or 1-hydroxy-2-alkoxy-3-alkene | EASTMAN KODAK COMPANY (US) | 1993-10-05 | — | — | US | disclosed |
| EP-0380578-B1 | A PROCESS FOR THE PREPARATION OF 1,4-DISUBSTITUTED 2-BUTENES | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1993-03-17 | — | — | EP | disclosed |
| US-5189199-A | Process for the preparation of 1,4-disubstituted 2-butenes | EASTMAN KODAK COMPANY (US) | 1993-02-23 | — | — | US | disclosed |
| EP-0380578-A1 | A PROCESS FOR THE PREPARATION OF 1,4-DISUBSTITUTED 2-BUTENES. | EASTMAN KODAK CO (US) | 1990-08-08 | — | — | EP | disclosed |
| WO-1989002883-A1 | A PROCESS FOR THE PREPARATION OF 1,4-DISUBSTITUTED 2-BUTENES | EASTMAN KODAK COMPANY (US) | 1989-04-06 | — | — | WO | disclosed |