⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1982426 | 1.00 | — | — | |
| SCHEMBL18938894 | 0.83 | — | — | |
| SCHEMBL530488 | 0.83 | — | — | |
| SCHEMBL530489 | 0.83 | — | — | |
| SCHEMBL528216 | 0.81 | CYP1A2 (0.32) | — | |
| SCHEMBL529602 | 0.76 | — | — | |
| SCHEMBL1562994 | 0.73 | HTT (0.53) | — | |
| SCHEMBL18204281 | 0.73 | L3MBTL1 (0.33) | — | |
| SCHEMBL508742 | 0.69 | ZDHHC20 (0.31) | — | |
| SCHEMBL507906 | 0.68 | ZDHHC20 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2513711-A1 | METHODS FOR MAKING SILICONE HYDROGEL LENSES FROM WATER-BASED LENS FORMULATIONS | Novartis AG (CH) | 2012-10-24 | — | — | EP | claimed |
| WO-2011075377-A1 | METHODS FOR MAKING SILICONE HYDROGEL LENSES FROM WATER-BASED LENS FORMULATIONS | NOVARTIS AG (CH) | 2011-06-23 | — | — | WO | claimed |