⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10766363 | 0.79 | MEN1 (0.36) | — | |
| SCHEMBL10766366 | 0.79 | MEN1 (0.36) | — | |
| SCHEMBL27946079 | 0.79 | — | — | |
| SCHEMBL10351560 | 0.78 | CA1 (0.40) | — | |
| SCHEMBL10351561 | 0.78 | CA1 (0.40) | — | |
| Water SCHEMBL28123873 | 0.77 | CA1 (0.33) | — | |
| Formaldehyde SCHEMBL8998516 | 0.74 | — | — | |
| Formaldehyde SCHEMBL28195257 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL15068452 | 0.74 | CA1 (0.46) | — | |
| SCHEMBL15584 | 0.74 | — | — |
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-20100063310-A1 | Functionalized silicon compounds | KNEPPER JEFFREY A | 2010-03-11 | — | — | US | disclosed |