⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3680416 | 0.76 | — | — | |
| SCHEMBL9621604 | 0.65 | — | — | |
| SCHEMBL21986690 | 0.65 | — | — | |
| SCHEMBL10707442 | 0.64 | — | — | |
| SCHEMBL5702108 | 0.64 | — | — | |
| SCHEMBL4599390 | 0.62 | — | — | |
| SCHEMBL29660848 | 0.61 | — | — | |
| SCHEMBL5701471 | 0.61 | — | — | |
| SCHEMBL8382190 | 0.61 | — | — | |
| SCHEMBL1181926 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8053544-B2 | Silicone for preparing ophthalmic devices | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2011-11-08 | — | — | US | disclosed |
| EP-2177556-A2 | Silicone for preparing ophthalmic devices | Shinetsu Chemical Co., Ltd. (JP) | 2010-04-21 | — | — | EP | disclosed |
| US-20100093963-A1 | SILICONE FOR PREPARING OPHTHALMIC DEVICES | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2010-04-15 | — | — | US | disclosed |