⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1726442 | 0.73 | — | — | |
| SCHEMBL10409103 | 0.73 | — | — | |
| SCHEMBL13344152 | 0.71 | — | — | |
| SCHEMBL13434449 | 0.64 | — | — | |
| SCHEMBL9700025 | 0.63 | — | — | |
| SCHEMBL27967363 | 0.62 | FFAR3 (0.33) | — | |
| SCHEMBL15973815 | 0.62 | NPSR1 (0.35) | — | |
| SCHEMBL5167517 | 0.61 | — | — | |
| SCHEMBL18901292 | 0.61 | — | — | |
| SCHEMBL5435460 | 0.60 | CES2 (0.31) | — |
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-1368180-A2 | HIGH OPTICAL QUALITY MOLDS FOR USE IN CONTACT LENS PRODUCTION | Johnson & Johnson Vision Care, Inc. (US) | 2003-12-10 | — | — | EP | disclosed |
| WO-2002083400-A2 | HIGH OPTICAL QUALITY MOLDS FOR USE IN CONTACT LENS PRODUCTION | JOHNSON & JOHNSON VISION CARE, INC. (US) | 2002-10-24 | — | — | WO | disclosed |