⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL627374 | 0.75 | — | — | |
| SCHEMBL24634 | 0.74 | — | — | |
| SCHEMBL11251764 | 0.73 | TAAR1 (0.45) | — | |
| SCHEMBL28059343 | 0.72 | MEN1 (0.31) | — | |
| SCHEMBL11130634 | 0.71 | TAAR1 (0.42) | — | |
| SCHEMBL296510 | 0.67 | CNR1 (0.38) | — | |
| SCHEMBL96361 | 0.66 | — | — | |
| SCHEMBL9579847 | 0.66 | TAAR1 (0.61) | — | |
| SCHEMBL144712 | 0.65 | ALDH1A1 (0.48) | — | |
| SCHEMBL28037506 | 0.65 | MEN1 (0.62) | — |
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-105085567-A | Multiple functional groups co-substituted cyclosiloxane, cyclosiloxane mixture, and preparation method and application of cyclosiloxane mixture | UNIV ZHEJIANG | 2015-11-25 | — | — | CN | disclosed |