⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7052882 | 0.73 | — | — | |
| SCHEMBL10586362 | 0.69 | GPR84 (0.43) | — | |
| SCHEMBL7106380 | 0.67 | — | — | |
| SCHEMBL3332459 | 0.65 | — | — | |
| SCHEMBL526643 | 0.65 | — | — | |
| SCHEMBL515547 | 0.65 | — | — | |
| SCHEMBL18205348 | 0.62 | — | — | |
| SCHEMBL21799370 | 0.62 | — | — | |
| SCHEMBL5754691 | 0.62 | — | — | |
| Isopropyl Alcohol SCHEMBL3814149 | 0.60 | ALDH1A1 (0.55) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210047496-A1 | Graphene-Based Liquid Crystal Dispersion Liquid, Liquid Crystal Composite Elastic Fiber and Method for Preparing Same | KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2021-02-18 | — | — | US | disclosed |