⚠ 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL27319140 | 1.00 | TSHR (0.39) | — | |
| Alcohol SCHEMBL4667948 | 0.81 | — | — | |
| Alcohol SCHEMBL1445684 | 0.81 | ALDH1A1 (0.43) | — | |
| SCHEMBL1112269 | 0.78 | — | — | |
| SCHEMBL21356519 | 0.78 | — | — | |
| SCHEMBL10587966 | 0.78 | — | — | |
| SCHEMBL9408651 | 0.78 | — | — | |
| SCHEMBL5080377 | 0.78 | — | — | |
| SCHEMBL9736213 | 0.78 | — | — | |
| SCHEMBL1112264 | 0.78 | — | — |
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-104530417-B | A kind of multiple functionalized H types polyethyleneglycol derivative and preparation method thereof | 厦门赛诺邦格生物科技股份有限公司 | 2017-09-08 | — | — | CN | disclosed |
| US-5246735-A | Fraying resistance, belts, polyurethane film by impregnating fibers with hydroxy-terminated rubber and an isocyanate-terminated rubber | TEIJIN LIMITED (JP) | 1993-09-21 | — | — | US | disclosed |
| EP-0537462-A1 | Process for producing rubber-reinforcing aromatic polyamide multifilament yarn | TEIJIN LIMITED (JP) | 1993-04-21 | — | — | EP | disclosed |