⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL82575 | 1.00 | — | — | |
| SCHEMBL1461766 | 1.00 | — | — | |
| SCHEMBL518568 | 0.95 | GABRA5 (0.32) | — | |
| SCHEMBL1439785 | 0.84 | — | — | |
| SCHEMBL17958893 | 0.84 | — | — | |
| SCHEMBL519385 | 0.84 | — | — | |
| SCHEMBL519398 | 0.82 | — | — | |
| SCHEMBL194304 | 0.82 | — | — | |
| SCHEMBL519196 | 0.82 | — | — | |
| SCHEMBL518656 | 0.80 | ALDH1A1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109761952-A | A kind of resorcinol methyl ether derivative and application thereof containing substituted biphenyl | 南方医科大学 | 2019-05-17 | — | — | CN | claimed |
| CN-109761952-A | A kind of resorcinol methyl ether derivative and application thereof containing substituted biphenyl | 南方医科大学 | 2019-05-17 | — | — | CN | disclosed |
| CN-109761952-A | A kind of resorcinol methyl ether derivative and application thereof containing substituted biphenyl | 南方医科大学 | 2019-05-17 | — | — | CN | disclosed |