⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8782829 | 1.00 | — | — | |
| SCHEMBL10384134 | 0.81 | KDM1A (0.37) | — | |
| SCHEMBL1907149 | 0.78 | — | — | |
| SCHEMBL11876113 | 0.78 | — | — | |
| SCHEMBL6474129 | 0.75 | CA12 (0.46) | — | |
| SCHEMBL25266542 | 0.74 | KDM1A (0.31) | — | |
| SCHEMBL13097546 | 0.72 | KDM1A (0.79) | — | |
| SCHEMBL13097547 | 0.72 | KDM1A (0.79) | — | |
| SCHEMBL10912989 | 0.72 | KDM1A (0.34) | — | |
| SCHEMBL29080035 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0643685-B1 | PALLADIUM CATALYZED ADDITION OF AMINES TO 3,4-EPOXY-1-BUTENE | EASTMAN CHEM CO (US) | 1997-01-22 | — | — | EP | disclosed |
| EP-0643685-A1 | PALLADIUM CATALYZED ADDITION OF AMINES TO 3,4-EPOXY-1-BUTENE. | EASTMAN CHEM CO (US) | 1995-03-22 | — | — | EP | disclosed |
| US-5326873-A | Catalyst selectivity | EASTMAN KODAK COMPANY (US) | 1994-07-05 | — | — | US | disclosed |
| WO-1993025516-A1 | PALLADIUM CATALYZED ADDITION OF AMINES TO 3,4-EPOXY-1-BUTENE | EASTMAN CHEMICAL COMPANY (US) | 1993-12-23 | — | — | WO | disclosed |