⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7036182 | 0.89 | — | — | |
| SCHEMBL7039025 | 0.89 | — | — | |
| SCHEMBL7035196 | 0.80 | — | — | |
| SCHEMBL7201668 | 0.77 | — | — | |
| SCHEMBL7036670 | 0.77 | — | — | |
| SCHEMBL22418974 | 0.75 | BRD4 (0.34) | — | |
| SCHEMBL25272907 | 0.75 | BRD4 (0.32) | — | |
| SCHEMBL25272908 | 0.74 | BRD4 (0.31) | — | |
| SCHEMBL29595282 | 0.73 | BRD4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL28897066 | 0.71 | BRD4 (0.32) | — |
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 |