⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL947238 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL8657327 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL3164636 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL9065393 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL9065884 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL6868845 | 0.77 | — | — | |
| SCHEMBL7946040 | 0.77 | — | — | |
| SCHEMBL7938325 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL8652354 | 0.75 | — | — | |
| SCHEMBL3900299 | 0.73 | GPR3 (0.31) | — |
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-6245870-B1 | INTRODUCING SELECTED METALLOCENE CATALYST AND ALUMOXANE COCATALYST INTO POLYMERIZATION REACTION ZONE CONTAINING OLEFIN MONOMER, MAINTAINING REACTION ZONE UNDER POLYMERIZATION REACTION CONDITIONS, EXTRACTING SYNDIOTACTIC/ISOTACTIC BLOCK | FINA TECHNOLOGY, INC. | 2001-06-12 | — | — | US | disclosed |