⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24160452 | 0.81 | PTPN1 (0.32) | — | |
| SCHEMBL12346252 | 0.66 | — | — | |
| SCHEMBL20992142 | 0.66 | — | — | |
| SCHEMBL12018906 | 0.65 | MAPK1 (0.31) | — | |
| SCHEMBL12437884 | 0.64 | L3MBTL1 (0.32) | — | |
| SCHEMBL583667 | 0.63 | — | — | |
| SCHEMBL583373 | 0.62 | — | — | |
| SCHEMBL13593717 | 0.62 | — | — | |
| SCHEMBL16190743 | 0.60 | — | — | |
| SCHEMBL12760955 | 0.58 | SHBG (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1975193-B1 | Polysiloxane and textile aid containing a polysiloxane | CHT R BEITLICH GMBH (DE) | 2013-09-18 | — | — | EP | disclosed |
| US-7632910-B2 | Polysiloxane and textile auxiliary containing a polysiloxane | CHT R. BEITLICH GMBH (DE) | 2009-12-15 | — | — | US | disclosed |
| US-20080261473-A1 | Polysiloxane and textile auxilary containing a polysiloxane | CHT R. BEITLICH GMBH (DE) | 2008-10-23 | — | — | US | disclosed |