⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19217162 | 0.91 | ALDH1A1 (0.30) | — | |
| SCHEMBL29067235 | 0.88 | — | — | |
| SCHEMBL13975701 | 0.87 | — | — | |
| SCHEMBL29395871 | 0.84 | — | — | |
| SCHEMBL19021594 | 0.79 | — | — | |
| SCHEMBL2330759 | 0.78 | — | — | |
| SCHEMBL4507439 | 0.76 | HSD11B1 (0.40) | — | |
| SCHEMBL636497 | 0.76 | — | — | |
| SCHEMBL95678 | 0.75 | — | — | |
| SCHEMBL14646010 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025127460-A1 | METHOD FOR PREPARING NORBORNANE DIISOCYANATE, ISOCYANATE COMPOSITION PREPARED THEREFROM, AND POLYURETHANE OPTICAL RESIN | 케이에스랩(주) | 2025-06-19 | — | — | WO | disclosed |
| WO-2025005602-A1 | ISOCYANATE COMPOSITION COMPRISING CHLORINATED DERIVATIVE, AND OPTICAL RESIN COMPRISING SAME | 케이에스랩(주) | 2025-01-02 | — | — | WO | disclosed |
| WO-2025005599-A1 | ISOCYANATE COMPOSITION AND POLYURETHANE OPTICAL RESIN COMPRISING COMPOSITION | 케이에스랩(주) | 2025-01-02 | — | — | WO | disclosed |