⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5951612 | 0.94 | PDCD1 (0.30) | — | |
| SCHEMBL5951785 | 0.87 | ADORA3 (0.30) | — | |
| SCHEMBL7787568 | 0.87 | — | — | |
| SCHEMBL9572199 | 0.84 | — | — | |
| SCHEMBL8852836 | 0.83 | — | — | |
| SCHEMBL7790392 | 0.81 | — | — | |
| SCHEMBL9069409 | 0.81 | — | — | |
| SCHEMBL5368036 | 0.81 | BRD4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL8852844 | 0.80 | — | — | |
| SCHEMBL5951992 | 0.80 | GSTP1 (0.34) | — |
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-5612428-A | CATALYTIC POLYMERIZATION WITH COORDINATION COMPLEXES WITH GROUP IVB METALS AND COCATALYSTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-03-18 | — | — | US | disclosed |
| US-5576260-A | POLYMERIZATION CATALYSTS FOR OLEFINS | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-11-19 | — | — | US | disclosed |