⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13593718 | 0.78 | ESR2 (0.34) | — | |
| SCHEMBL286913 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL8776134 | 0.73 | ATM (0.44) | — | |
| SCHEMBL6519607 | 0.71 | CA1 (0.30) | — | |
| SCHEMBL194872 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL2761366 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL14670908 | 0.69 | — | — | |
| SCHEMBL2915774 | 0.68 | TSHR (0.47) | — | |
| SCHEMBL11266514 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL13593724 | 0.68 | CYP1A2 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1051655-B1 | METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY | ISTA PHARMACEUTICALS INC (US) | 2005-09-28 | — | — | EP | disclosed |
| US-20010016731-A1 | Methods and apparatus for accelerated orthokeratology | DEVORE DALE (US) | 2001-08-23 | — | — | US | disclosed |
| US-6161544-A | Methods for accelerated orthokeratology | KERATOFORM, INC. (US) | 2000-12-19 | — | — | US | disclosed |