⚠ 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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL6797568 | 0.81 | MMP2 (0.33) | — | |
| SCHEMBL29850388 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL815813 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL30288305 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL818316 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL30288297 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL30445962 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL30288312 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL30388789 | 0.81 | — | — | |
| SCHEMBL30621842 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4103629-A1 | POLYETHYLENE COMPOSITIONS OBTAINED USING TRANSITION METAL BIS(PHENOLATE) CATALYST COMPLEXES AND HOMOGENEOUS PROCESS FOR PRODUCTION THEREOF | ExxonMobil Chemical Patents Inc. (US) | 2022-12-21 | — | — | EP | disclosed |