⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27541008 | 0.82 | — | — | |
| SCHEMBL5909629 | 0.80 | — | — | |
| SCHEMBL6674106 | 0.80 | — | — | |
| SCHEMBL31300161 | 0.78 | TSHR (0.34) | — | |
| SCHEMBL1085538 | 0.78 | TSHR (0.34) | — | |
| Hydrochloric Acid SCHEMBL29153267 | 0.78 | TSHR (0.34) | — | |
| SCHEMBL4445521 | 0.77 | TSHR (0.52) | — | |
| SCHEMBL16568310 | 0.77 | PAOX (0.39) | — | |
| SCHEMBL29277819 | 0.75 | TSHR (0.34) | — | |
| SCHEMBL7174517 | 0.75 | ZDHHC20 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1780883-B | Diluent for forming clear wettable silicone hydrogel articles | J & J VISION CARE INC | 2012-05-09 | — | — | CN | claimed |
| CN-1780883-A | Diluents for forming clear,wettable silicone hydrogel articles | J & J VISION CARE INC (US) | 2006-05-31 | — | — | CN | claimed |
| CN-104379619-A | Novel comb copolymer and preparation method thereof | SEPPIC SA | 2015-02-25 | — | — | CN | disclosed |