⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1666610 | 0.88 | — | — | |
| SCHEMBL1072671 | 0.71 | — | — | |
| SCHEMBL7907245 | 0.68 | — | — | |
| SCHEMBL4075661 | 0.66 | — | — | |
| SCHEMBL3905019 | 0.64 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL403241 | 0.63 | — | — | |
| SCHEMBL1667278 | 0.63 | — | — | |
| SCHEMBL6689626 | 0.60 | — | — | |
| SCHEMBL869301 | 0.60 | — | — | |
| SCHEMBL27516210 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6218503-B1 | PREPOLYMERS BASED ON BLOCK COPOLYMERS OF A SILICONE-CONTAINING MATERIAL AND A HYDROPHILIC MATERIAL; USEFUL AS A HYDROGEL LENS MATERIAL, SUCH AS A HYDROGEL CONTACT LENS OR INTRAOCULAR LENS MATERIAL. | BAUSCH & LOMB INCORPORATED | 2001-04-17 | — | — | US | disclosed |