⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7108099 | 0.89 | GABRA1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7198454 | 0.88 | — | — | |
| SCHEMBL5187750 | 0.86 | HSP90AA1 (0.30) | — | |
| SCHEMBL7108390 | 0.84 | — | — | |
| Ethylene Glycol SCHEMBL7110517 | 0.80 | GABRA1 (0.30) | — | |
| SCHEMBL6459369 | 0.79 | BRD4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7201724 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL6039990 | 0.79 | — | — | |
| SCHEMBL5186390 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL8167960 | 0.78 | BRD4 (0.31) | — |
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-1133504-B1 | METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES | BASELL POLYOLEFINE GMBH (DE) | 2003-03-12 | — | — | EP | disclosed |