⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11521763 | 0.85 | — | — | |
| SCHEMBL5899747 | 0.78 | FFAR3 (0.32) | — | |
| SCHEMBL9784952 | 0.76 | HPGD (0.31) | — | |
| SCHEMBL14127827 | 0.75 | AKR1B1 (0.37) | — | |
| SCHEMBL5899634 | 0.75 | FFAR3 (0.30) | — | |
| SCHEMBL11519574 | 0.75 | GPR84 (0.36) | — | |
| SCHEMBL3690584 | 0.73 | CYP2C19 (0.37) | — | |
| SCHEMBL8616390 | 0.72 | — | — | |
| SCHEMBL21950884 | 0.71 | — | — | |
| SCHEMBL21950856 | 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-4154952-A | REACTING ALDEHYDES, METHYLENE COMPOUND, A SULFUR-CONTAINING HALIDE, AN INERT ORGANIC SOLVENT AND A STRONG BASE | SCHULTZ HARRY W | 1979-05-15 | — | — | US | disclosed |