⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL390228 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL28500271 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL29612293 | 0.57 | — | — | |
| SCHEMBL28508885 | 0.57 | — | — | |
| SCHEMBL5836582 | 0.57 | — | — | |
| SCHEMBL7805591 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL28905681 | 0.56 | — | — | |
| SCHEMBL3156081 | 0.55 | — | — | |
| SCHEMBL8735825 | 0.52 | PSMB5 (0.43) | — | |
| SCHEMBL16449078 | 0.51 | OPRL1 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0818458-B1 | TRANSITION METAL COMPOUND, POLYMERIZATION CATALYST FOR OLEFINS, AND PROCESS FOR PRODUCING OLEFINIC POLYMERS | IDEMITSU KOSAN CO (JP) | 2004-02-25 | — | — | EP | disclosed |
| US-6339135-B1 | AS POLYMERIZATION CATALYST | IDEMITSU KOSAN CO., LTD. (JP) | 2002-01-15 | — | — | US | disclosed |
| EP-0818458-A1 | TRANSITION METAL COMPOUND, POLYMERIZATION CATALYST FOR OLEFINS, AND PROCESS FOR PRODUCING OLEFINIC POLYMERS | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1998-01-14 | — | — | EP | disclosed |