⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11905668 | 0.87 | — | — | |
| SCHEMBL11905864 | 0.87 | — | — | |
| SCHEMBL11906115 | 0.87 | — | — | |
| SCHEMBL11905090 | 0.86 | — | — | |
| SCHEMBL11905861 | 0.84 | TSHR (0.31) | — | |
| SCHEMBL4443939 | 0.82 | TSHR (0.30) | — | |
| SCHEMBL11906010 | 0.82 | — | — | |
| SCHEMBL4661473 | 0.80 | APAF1 (0.33) | — | |
| SCHEMBL2616721 | 0.80 | HPGD (0.32) | — | |
| SCHEMBL11906054 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9567354-B2 | Amino acid-modified silane compounds and making method | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-02-14 | — | — | US | disclosed |
| US-20120209020-A1 | AMINO ACID-MODIFIED SILANE COMPOUNDS AND MAKING METHOD | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2012-08-16 | — | — | US | disclosed |