⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10877482 | 0.77 | — | — | |
| SCHEMBL27812176 | 0.67 | — | — | |
| SCHEMBL1827036 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL17764207 | 0.67 | — | — | |
| SCHEMBL11502037 | 0.65 | — | — | |
| SCHEMBL11885010 | 0.64 | — | — | |
| SCHEMBL8037970 | 0.64 | — | — | |
| SCHEMBL3482047 | 0.64 | ALDH1A1 (0.37) | — | |
| SCHEMBL2270672 | 0.62 | — | — | |
| SCHEMBL4522577 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1238980-B1 | Silyl (meth)acrylates having bulky substituent group and preparation thereof | SHINETSU CHEMICAL CO (JP) | 2006-06-14 | — | — | EP | disclosed |
| EP-1203772-B1 | Thexylchlorosilanes, their manufacture and use | SHINETSU CHEMICAL CO (JP) | 2006-01-11 | — | — | EP | disclosed |
| US-6518447-B2 | Reacting 2,3-dimethyl-2-butene with a hydrogenchlorosilane compound in presence of aluminum chloride to form thexylchlorosilanes | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2003-02-11 | — | — | US | disclosed |
| US-6498264-B2 | REACTING A CHLOROSILANE COMPOUND WITH ACRYLIC OR METHACRYLIC ACID IN THE PRESENCE OF A BASIC COMPOUND; PROTECTIVE HYDROLYSABLE COATINGS FOR SHIP BOTTOMS; NONTOXIC; POLLUTION CONTROL; KINETICS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2002-12-24 | — | — | US | disclosed |
| US-20020128503-A1 | Silyl (meth)acrylates having bulky substituent group and preparation thereof | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2002-09-12 | — | — | US | disclosed |
| EP-1238980-A1 | Silyl (meth)acrylates having bulky substituent group and preparation thereof | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2002-09-11 | — | — | EP | disclosed |
| US-20020055647-A1 | Thexylchlorosilanes and making process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2002-05-09 | — | — | US | disclosed |
| EP-1203772-A2 | Thexylchlorosilanes, their manufacture and use | Shin-Etsu Chemical Co., Ltd. (JP) | 2002-05-08 | — | — | EP | disclosed |