⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL435744 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL7519217 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL10602783 | 0.69 | — | — | |
| SCHEMBL6666105 | 0.68 | — | — | |
| SCHEMBL1717567 | 0.62 | — | — | |
| SCHEMBL23070781 | 0.61 | — | — | |
| SCHEMBL28313328 | 0.61 | — | — | |
| SCHEMBL6663536 | 0.61 | — | — | |
| SCHEMBL4307337 | 0.60 | TSHR (0.46) | — | |
| SCHEMBL2880751 | 0.60 | TSHR (0.33) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102690419-B | Silicon-containing prepolymer and silicone hydrogel biomaterial containing same | ZHAN QIANQING | 2014-05-07 | — | — | CN | disclosed |
| CN-102690419-A | Silicon-containing prepolymer and silicone hydrogel biomaterial containing same | QIANQING ZHAN | 2012-09-26 | — | — | CN | disclosed |
| EP-0452097-A2 | Silicone containing acrylic star polymers | E.I. du Pont de Nemours and Company (US) | 1991-10-16 | — | — | EP | disclosed |
| US-5057578-A | Contact lenses | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-10-15 | — | — | US | disclosed |
| US-RE31406-E | POLYSILOXANYLALKYL ACRYLATE AND ALKYL ACRYLATE COPOLYMER | SYNTEX (U.S.A.) INC. (US) | 1983-10-04 | — | — | US | disclosed |
| EP-0075004-A1 | SILICONE METHACRYLATE HYDROGELS FOR CONTACT LENSES | McCARRY, John D. (US) | 1983-03-30 | — | — | EP | disclosed |
| WO-1982003397-A1 | SILICONE METHACRYLATE HYDROGELS FOR CONTACT LENSES | MCCARRY JOHN D (US) | 1982-10-14 | — | — | WO | disclosed |
| US-4120570-A | POLYSILOXANYLALKYL ACRYLATE OR METHACRYLATE AND AN ALKYL ACRYLATE OR METHACRYLATE | SYNTEX (U.S.A.) INC. (US) | 1978-10-17 | — | — | US | disclosed |