⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2870165 | 0.73 | — | — | |
| SCHEMBL13928675 | 0.71 | — | — | |
| SCHEMBL12617560 | 0.64 | — | — | |
| SCHEMBL12678052 | 0.64 | — | — | |
| SCHEMBL7034645 | 0.64 | — | — | |
| SCHEMBL562805 | 0.64 | — | — | |
| SCHEMBL12124087 | 0.64 | — | — | |
| SCHEMBL236802 | 0.64 | — | — | |
| SCHEMBL2870230 | 0.64 | — | — | |
| SCHEMBL8769451 | 0.62 | — | — |
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-7498293-B2 | Alkylaminosiloxanes as corrosion inhibitors | CIBA SPECIALTY CHEMICALS CORP. (US) | 2009-03-03 | — | — | US | disclosed |
| US-20050176596-A1 | Alkylaminosiloxanes as corrosion inhibitors | CIBA SPECIALTY CHEMICAL CORP. | 2005-08-11 | — | — | US | disclosed |
| EP-1509534-A2 | ALKYLAMINOSILOXANES AS CORROSION INHIBITORS | Ciba SC Holding AG (CH) | 2005-03-02 | — | — | EP | disclosed |
| WO-2003101947-A2 | ALKYLAMINOSILOXANES AS CORROSION INHIBITORS | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2003-12-11 | — | — | WO | disclosed |