⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8017477 | 0.96 | — | — | |
| SCHEMBL14541862 | 0.67 | CYP1A2 (0.47) | — | |
| SCHEMBL39444 | 0.51 | TSHR (0.57) | — | |
| Ammonia Solution, Strong SCHEMBL2555129 | 0.48 | TSHR (0.53) | — | |
| SCHEMBL19188454 | 0.48 | — | — | |
| SCHEMBL5180999 | 0.48 | TSHR (0.53) | — | |
| SCHEMBL12703772 | 0.48 | — | — | |
| SCHEMBL4160459 | 0.48 | CYP1A2 (0.47) | — | |
| SCHEMBL1134712 | 0.46 | CYP3A4 (0.41) | — | |
| SCHEMBL11277497 | 0.44 | — | — |
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-0574794-B1 | Organic transition metal compound having a pi-bonding heterocyclic ligand and method of polymerizing olefins by using the same | TOSOH CORP (JP) | 2000-09-06 | — | — | EP | disclosed |