⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17019780 | 0.79 | — | — | |
| SCHEMBL8752278 | 0.78 | — | — | |
| SCHEMBL7153955 | 0.77 | KDM4E (0.30) | — | |
| SCHEMBL17082701 | 0.74 | — | — | |
| SCHEMBL6700001 | 0.74 | PSMB11 (0.31) | — | |
| SCHEMBL28508247 | 0.74 | — | — | |
| SCHEMBL1722808 | 0.72 | KDM4E (0.31) | — | |
| SCHEMBL11067322 | 0.72 | USP2 (0.31) | — | |
| SCHEMBL12228323 | 0.71 | — | — | |
| SCHEMBL14824391 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040181094-A1 | Transition metal oxo complexes as catalysts of synthetic processes involving alkyne reactants | REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE | 2004-09-16 | — | — | US | disclosed |