⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10486863 | 0.85 | — | — | |
| SCHEMBL8170204 | 0.77 | TSHR (0.40) | — | |
| SCHEMBL11673508 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL1361248 | 0.75 | — | — | |
| SCHEMBL8170972 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL8169251 | 0.72 | TSHR (0.45) | — | |
| SCHEMBL2103848 | 0.72 | — | — | |
| SCHEMBL2452193 | 0.72 | — | — | |
| SCHEMBL17966474 | 0.72 | — | — | |
| SCHEMBL11273400 | 0.69 | — | — |
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-118895064-A | White ink, preparation method thereof and backlight module | 上海天马微电子有限公司 | 2024-11-05 | — | — | CN | disclosed |
| CN-105289742-B | For the catalyst of ethylene selectivity oligomerisation, ligand and preparation method thereof | 天津科技大学 | 2018-07-13 | — | — | CN | disclosed |
| US-6010974-A | Carbon and/or silicon bridged binuclear metallocene catalyst for styrene polymerization | CHEIL INDUSTRIES, INC. (KR) | 2000-01-04 | — | — | US | disclosed |