⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22098143 | 0.80 | GPR84 (0.46) | — | |
| Alcohol SCHEMBL28241943 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL626926 | 0.78 | — | — | |
| SCHEMBL4702066 | 0.78 | — | — | |
| SCHEMBL5047501 | 0.78 | — | — | |
| SCHEMBL7215120 | 0.77 | — | — | |
| SCHEMBL6703823 | 0.76 | — | — | |
| SCHEMBL14984815 | 0.76 | — | — | |
| SCHEMBL11181360 | 0.76 | TDP1 (0.45) | — | |
| SCHEMBL14067038 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230235471-A1 | Polyalkanolamines | BASF SE (DE) | 2023-07-27 | — | — | US | disclosed |
| US-11524973-B2 | Metal compounds and methods of fabricating semiconductor devices using the same | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2022-12-13 | — | — | US | disclosed |
| US-20200361970-A1 | METAL COMPOUNDS AND METHODS OF FABRICATING SEMICONDUCTOR DEVICES USING THE SAME | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2020-11-19 | — | — | US | disclosed |