⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27462108 | 0.75 | CTSD (0.32) | — | |
| SCHEMBL8082597 | 0.75 | CTSD (0.32) | — | |
| SCHEMBL8082603 | 0.75 | CTSD (0.32) | — | |
| SCHEMBL9409483 | 0.73 | CTSD (0.31) | — | |
| Hydrochloric Acid SCHEMBL5898892 | 0.73 | CTSD (0.31) | — | |
| SCHEMBL6909870 | 0.72 | CTSD (0.33) | — | |
| SCHEMBL8749957 | 0.69 | CTSD (0.31) | — | |
| SCHEMBL6858977 | 0.69 | CTSD (0.31) | — | |
| SCHEMBL5143872 | 0.69 | CTSD (0.31) | — | |
| Hydrochloric Acid SCHEMBL7947958 | 0.67 | CTSD (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-6825294-B1 | TRANSITION METAL COMPLEX COMPRISING OXYGEN-CONTAINING AND CARBONYL COMPOUNDS; AND ALKYLATING AGENT; SYNDIOTACTIC ADDITION POLMERIZATION | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 2004-11-30 | — | — | US | disclosed |
| EP-1085026-A1 | CATALYST FOR POLYMERIZING STYRENE AND OTHER MONOMER AND PROCESS FOR PRODUCING STYRENE POLYMER | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 2001-03-21 | — | — | EP | disclosed |