⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL714832 | 0.87 | TDP1 (0.38) | — | |
| SCHEMBL1802969 | 0.82 | TDP1 (0.35) | — | |
| SCHEMBL1802245 | 0.82 | TDP1 (0.35) | — | |
| SCHEMBL9546898 | 0.80 | TDP1 (0.33) | — | |
| SCHEMBL1800475 | 0.80 | CES2 (0.35) | — | |
| SCHEMBL14254731 | 0.80 | CES2 (0.35) | — | |
| Ethylene Glycol SCHEMBL3139524 | 0.80 | TDP1 (0.33) | — | |
| SCHEMBL9794648 | 0.80 | — | — | |
| SCHEMBL160486 | 0.80 | TSHR (0.36) | — | |
| SCHEMBL9114234 | 0.80 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7834120-B2 | Monofunctional monomer having cage oligosiloxane structure and method of making | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2010-11-16 | — | — | US | claimed |
| US-7834120-B2 | Monofunctional monomer having cage oligosiloxane structure and method of making | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2010-11-16 | — | — | US | disclosed |
| EP-1645560-B1 | Monofunctional monomer having cage oligosiloxane structure and method of making | SHINETSU CHEMICAL CO (JP) | 2008-05-28 | — | — | EP | disclosed |
| EP-1645560-A1 | Monofunctional monomer having cage oligosiloxane structure and method of making | Shin-Etsu Chemical Co., Ltd. (JP) | 2006-04-12 | — | — | EP | disclosed |
| US-20060074213-A1 | Monofunctional monomer having cage oligosiloxane structure and method of making | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2006-04-06 | — | — | US | disclosed |