⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27509149 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL21044908 | 0.75 | — | — | |
| SCHEMBL21044935 | 0.71 | — | — | |
| SCHEMBL21044872 | 0.67 | — | — | |
| SCHEMBL21044968 | 0.62 | ESR1 (0.33) | — | |
| SCHEMBL31674571 | 0.61 | GPR3 (0.38) | — | |
| SCHEMBL21044897 | 0.60 | — | — | |
| SCHEMBL20549793 | 0.60 | — | — | |
| SCHEMBL20602879 | 0.60 | — | — | |
| SCHEMBL21044967 | 0.60 | DPP4 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105143285-A | Preparation of polyolefin | UNIVATION TECH LLC | 2015-12-09 | — | — | CN | disclosed |