⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4101476 | 0.76 | GABRA1 (0.44) | — | |
| SCHEMBL8728155 | 0.76 | — | — | |
| SCHEMBL23252274 | 0.73 | GABRA1 (0.32) | — | |
| SCHEMBL12696836 | 0.73 | CYP2D6 (0.45) | — | |
| SCHEMBL28870 | 0.73 | HDAC8 (0.36) | — | |
| SCHEMBL29549283 | 0.73 | HDAC8 (0.36) | — | |
| SCHEMBL30185685 | 0.70 | HDAC8 (0.35) | — | |
| SCHEMBL15247577 | 0.70 | HTT (0.33) | — | |
| SCHEMBL1626174 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL26025303 | 0.70 | CYP2D6 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5516871-A | Diphenylsiloxane oligomers functionalized at both terminals and methods for the preparation thereof | DOW CORNING ASIA, LTD. (JP) | 1996-05-14 | — | — | US | claimed |
| US-5502229-A | ENDCAPPING | DOW CORNING ASIA, LTD. (JP) | 1996-03-26 | — | — | US | claimed |
| US-5516871-A | Diphenylsiloxane oligomers functionalized at both terminals and methods for the preparation thereof | DOW CORNING ASIA, LTD. (JP) | 1996-05-14 | — | — | US | disclosed |
| US-5502229-A | ENDCAPPING | DOW CORNING ASIA, LTD. (JP) | 1996-03-26 | — | — | US | disclosed |