⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22411948 | 0.91 | — | — | |
| SCHEMBL6458508 | 0.90 | BRD4 (0.32) | — | |
| SCHEMBL2234772 | 0.90 | BRD4 (0.32) | — | |
| Hydrochloric Acid SCHEMBL2232423 | 0.89 | BRD4 (0.31) | — | |
| SCHEMBL6453864 | 0.88 | — | — | |
| SCHEMBL3700473 | 0.82 | — | — | |
| SCHEMBL22411218 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL2233539 | 0.81 | — | — | |
| SCHEMBL3681017 | 0.80 | RXRA (0.30) | — | |
| SCHEMBL11967835 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050182266-A1 | Transition metal componds their preparation and their use in catalyst systems for the polymerization and copolymerization of olefins | BASELL POLYOLEFINE GMBH (DE) | 2005-08-18 | — | — | US | disclosed |