⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11054935 | 0.74 | — | — | |
| SCHEMBL23711599 | 0.72 | — | — | |
| SCHEMBL5150883 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL18169471 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL9056715 | 0.67 | — | — | |
| SCHEMBL17182796 | 0.67 | — | — | |
| SCHEMBL2363500 | 0.67 | — | — | |
| SCHEMBL15138642 | 0.60 | — | — | |
| SCHEMBL11070461 | 0.58 | ALDH1A1 (0.35) | — | |
| SCHEMBL7549527 | 0.58 | TSHR (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120004436-A1 | PROCESS FOR THE SYNTHESIS OF 1,3-BIS(AMINOALKYL)DISILOXANES | WACKER CHEMIE AG (DE) | 2012-01-05 | — | — | US | disclosed |