⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6251941 | 0.84 | — | — | |
| SCHEMBL6255084 | 0.81 | — | — | |
| SCHEMBL8408178 | 0.74 | — | — | |
| SCHEMBL8158888 | 0.71 | CNR1 (0.30) | — | |
| SCHEMBL8710096 | 0.70 | PPARG (0.33) | — | |
| SCHEMBL4065890 | 0.69 | HTR7 (0.32) | — | |
| SCHEMBL27491684 | 0.69 | CES1 (0.33) | — | |
| SCHEMBL27541344 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL7262251 | 0.69 | — | — | |
| SCHEMBL8170300 | 0.68 | — | — |
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-1313747-B1 | METHOD FOR PRODUCING ALKYL-BRIDGED LIGAND SYSTEMS AND TRANSITION METAL COMPOUNDS | BASELL POLYOLEFINE GMBH (DE) | 2005-04-20 | — | — | EP | disclosed |