⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1016609 | 0.97 | — | — | |
| Phosphine SCHEMBL27369583 | 0.94 | — | — | |
| Hydrogen Sulfide SCHEMBL27789500 | 0.94 | ADORA2A (0.37) | — | |
| Phosphine SCHEMBL27371528 | 0.91 | ADORA2A (0.36) | — | |
| Pyridine SCHEMBL29236579 | 0.84 | TSHR (0.45) | — | |
| Phosphoric Acid SCHEMBL28969998 | 0.82 | FDPS (0.37) | — | |
| Formic Acid SCHEMBL27533140 | 0.82 | ADORA2A (0.33) | — | |
| SCHEMBL30932481 | 0.82 | — | — | |
| SCHEMBL31321225 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL19437631 | 0.77 | KDM4E (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107848941-A | Align 2,3 indanyls and 1,2,3,4 tetrahydronaphthalene radical derivatives of substitution | 巴斯夫欧洲公司 | 2018-03-27 | — | — | CN | disclosed |