⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24328852 | 0.61 | — | — | |
| SCHEMBL24328263 | 0.60 | — | — | |
| SCHEMBL24328855 | 0.60 | — | — | |
| SCHEMBL2605955 | 0.59 | HSD11B1 (0.35) | — | |
| SCHEMBL2605956 | 0.57 | HSD11B1 (0.36) | — | |
| SCHEMBL8150839 | 0.53 | MEN1 (0.35) | — | |
| SCHEMBL1427169 | 0.53 | — | — | |
| SCHEMBL8715543 | 0.52 | FFAR3 (0.32) | — | |
| SCHEMBL22190208 | 0.50 | MEN1 (0.35) | — | |
| SCHEMBL4327201 | 0.48 | EPHX2 (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-5739396-A | CHIRAL COMPOUND COMPRISING CHIRAL BACKBONE TO WHICH IS BOUND TWO OR THREE METAL BINDING MOIETIES | STANFORD UNIVERSITY (US) | 1998-04-14 | — | — | US | disclosed |
| WO-1993012260-A2 | ASYMMETRIC LIGANDS USEFUL FOR TRANSITION METAL CATALYZED BOND FORMING REACTIONS | BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIO (US) | 1993-06-24 | — | — | WO | disclosed |