⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14252513 | 0.64 | — | — | |
| SCHEMBL14024453 | 0.56 | — | — | |
| SCHEMBL19892116 | 0.54 | PRSS1 (0.39) | — | |
| SCHEMBL24711663 | 0.53 | PRSS1 (0.38) | — | |
| SCHEMBL24710647 | 0.53 | ALDH1A1 (0.35) | — | |
| SCHEMBL8196574 | 0.53 | ALDH1A1 (0.43) | — | |
| SCHEMBL22733452 | 0.52 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL21923187 | 0.52 | KMT2A (0.38) | — | |
| SCHEMBL15001046 | 0.52 | — | — | |
| SCHEMBL21300885 | 0.50 | PRSS1 (0.35) | — |
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-9896461-B2 | Polysilylated organosilane compounds | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) | 2018-02-20 | — | — | US | disclosed |