⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6908000 | 0.86 | — | — | |
| SCHEMBL1985688 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL14690524 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL8384026 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL7645218 | 0.75 | POLB (0.31) | — | |
| SCHEMBL6907986 | 0.70 | BRD4 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7645062 | 0.70 | HTR2A (0.33) | — | |
| Hydrochloric Acid SCHEMBL713024 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL5909851 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL8384419 | 0.66 | — | — |
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-6790917-B2 | POLYMERIZING A VINYL COMPOUND IN PRESENCE OF A CATALYST OBTAINED BY COMBINING ORGANOTRANSITION METAL COMPOUND, AN ALUMINUM COMPUND OR ALUMOXANE AND A BORON COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-09-14 | — | — | US | disclosed |
| US-20020198340-A1 | Process for producing vinyl compound polymer | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-12-26 | — | — | US | disclosed |