⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11357259 | 1.00 | — | — | |
| SCHEMBL19333596 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL28046130 | 0.85 | CNR1 (0.38) | — | |
| SCHEMBL887958 | 0.81 | — | — | |
| SCHEMBL4335767 | 0.81 | — | — | |
| SCHEMBL28569353 | 0.80 | — | — | |
| SCHEMBL6908231 | 0.79 | — | — | |
| SCHEMBL12943386 | 0.79 | — | — | |
| SCHEMBL933645 | 0.79 | — | — | |
| SCHEMBL17674565 | 0.79 | PPARG (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6541660-B2 | Chemical intermediates for vitamin A biosynthesis | BASF AKTIENGESELLSCHAFT (DE) | 2003-04-01 | — | — | US | disclosed |
| US-4062900-A | OR BUTENEDIOLHYDROLYZING DIACETOXY-BUTANE OR BUTENE | MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) | 1977-12-13 | — | — | US | disclosed |