⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17600638 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL17600589 | 0.77 | — | — | |
| SCHEMBL4217051 | 0.75 | MMP1 (0.31) | — | |
| SCHEMBL4215256 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL4215211 | 0.70 | — | — | |
| SCHEMBL4207189 | 0.70 | — | — | |
| SCHEMBL4212238 | 0.68 | — | — | |
| SCHEMBL205085 | 0.68 | TSHR (0.36) | — | |
| SCHEMBL6239543 | 0.68 | TSHR (0.36) | — | |
| SCHEMBL5689086 | 0.68 | — | — |
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-9677178-B2 | Alkoxyaminosilane compounds and applications thereof | VERSUM MATERIALS US, LLC (US) | 2017-06-13 | — | — | US | claimed |
| US-20160083847-A1 | ALKOXYAMINOSILANE COMPOUNDS AND APPLICATIONS THEREOF | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2016-03-24 | — | — | US | claimed |
| US-9677178-B2 | Alkoxyaminosilane compounds and applications thereof | VERSUM MATERIALS US, LLC (US) | 2017-06-13 | — | — | US | disclosed |
| US-20160083847-A1 | ALKOXYAMINOSILANE COMPOUNDS AND APPLICATIONS THEREOF | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2016-03-24 | — | — | US | disclosed |