⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11566659 | 0.79 | — | — | |
| SCHEMBL11562575 | 0.76 | EPHX1 (0.50) | — | |
| SCHEMBL29191470 | 0.76 | EPHX1 (0.50) | — | |
| SCHEMBL11287742 | 0.73 | — | — | |
| SCHEMBL3382074 | 0.72 | — | — | |
| SCHEMBL16229859 | 0.72 | — | — | |
| SCHEMBL15226946 | 0.70 | — | — | |
| SCHEMBL30184912 | 0.69 | — | — | |
| Hydrogen Sulfide SCHEMBL26136130 | 0.69 | — | — | |
| SCHEMBL3726352 | 0.68 | — | — |
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-20100210518-A1 | Peg-lipid conjugates for increasing the solubility of drug compounds | KELLER BRIAN CHARLES | 2010-08-19 | — | — | US | disclosed |