⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28179104 | 0.76 | — | — | |
| SCHEMBL10780297 | 0.69 | — | — | |
| SCHEMBL234679 | 0.67 | — | — | |
| SCHEMBL5834212 | 0.65 | — | — | |
| SCHEMBL6958906 | 0.63 | — | — | |
| SCHEMBL1079011 | 0.62 | — | — | |
| SCHEMBL119767 | 0.62 | — | — | |
| SCHEMBL10476867 | 0.62 | — | — | |
| SCHEMBL3507666 | 0.62 | — | — | |
| SCHEMBL3481824 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1164595-C | Preparation method of alpha-chloro alkyl siloxane | 中国石油天然气股份有限公司 | 2004-09-01 | — | — | CN | disclosed |
| EP-0197540-A2 | Use of amines for stabilizing polysiloxane fluids | WACKER-CHEMIE GMBH (DE) | 1986-10-15 | — | — | EP | disclosed |