⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3700473 | 0.90 | — | — | |
| SCHEMBL5584098 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL2233539 | 0.89 | — | — | |
| SCHEMBL2234772 | 0.87 | BRD4 (0.32) | — | |
| SCHEMBL11967835 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL2232423 | 0.86 | BRD4 (0.31) | — | |
| SCHEMBL5177617 | 0.85 | — | — | |
| SCHEMBL5275988 | 0.84 | — | — | |
| SCHEMBL11967893 | 0.82 | GPR84 (0.30) | — | |
| SCHEMBL11968364 | 0.82 | GPR84 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7223878-B2 | Reduction of concentration of inorganic by-products and organometallic by-products in the preparation of metallocenes and economical recovery of the starting materials used | BASELL POLYOLEFINE GMBH (DE) | 2007-05-29 | — | — | US | disclosed |
| US-20040176624-A1 | Reduction of concentration of inorganic by-products and organometallic by-products in the preparation of metallocenes and economical recovery of the starting materials used | EQUISTAR CHEMICALS, LP | 2004-09-09 | — | — | US | disclosed |