⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2306124 | 0.91 | ALDH1A1 (0.42) | — | |
| SCHEMBL7697156 | 0.89 | ALDH1A1 (0.45) | — | |
| SCHEMBL31249699 | 0.86 | GABRA5 (0.43) | — | |
| Hydrochloric Acid SCHEMBL31249822 | 0.84 | GABRA5 (0.42) | — | |
| SCHEMBL31249798 | 0.80 | CHRNB2 (0.34) | — | |
| SCHEMBL719931 | 0.79 | — | — | |
| SCHEMBL423892 | 0.79 | KMT2A (0.47) | — | |
| SCHEMBL31249776 | 0.79 | SLC6A12 (0.30) | — | |
| Hydrochloric Acid SCHEMBL31249739 | 0.79 | CHRNB2 (0.33) | — | |
| SCHEMBL31249843 | 0.78 | SLC6A1 (0.39) | — |
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-108368107-A | FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS | 艾伯维公司 | 2018-08-03 | — | — | CN | disclosed |
| CN-101160301-B | Aminoalkyl-amidomethyl-substituted 2- (4-sulfonylamino) -3-hydroxy-3, 4-dihydro-2H-chromen-6-yl derivatives and their use as potassium channel blockers | SOLVAY PHARM BV | 2012-03-28 | — | — | CN | disclosed |
| CN-101160301-A | Aminoalkyl-amidomethyl-substituted 2- (4-sulfonylamino) -3-hydroxy-3, 4-dihydro-2H-chromen-6-yl derivatives and their use as potassium channel blockers | SOLVAY PHARM GMBH (DE) | 2008-04-09 | — | — | CN | disclosed |