⚠ 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 SCHEMBL4525644 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL8711749 | 0.78 | — | — | |
| SCHEMBL27636312 | 0.75 | — | — | |
| SCHEMBL27269352 | 0.75 | — | — | |
| SCHEMBL27544802 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL27636306 | 0.73 | — | — | |
| SCHEMBL6910589 | 0.73 | — | — | |
| SCHEMBL7763681 | 0.70 | — | — | |
| SCHEMBL6343863 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL8762978 | 0.69 | CA4 (0.32) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1073687-A | The selective hydrogenation of conjugated diolefin polymer | SHELL INT RESEARCH (NL) | 1993-06-30 | — | — | CN | claimed |
| CN-1955200-B | Multi-nuclear metallocene catalyst and method for preparing synodiotactic polystyrene using the multi-nuclear metallocene catalyst | LG ELECTRONICS INC | 2011-08-31 | — | — | CN | disclosed |
| CN-100379769-C | Ultrahigh-molecular ethylene polymer | ASAHI CHEMICAL CORP (JP) | 2008-04-09 | — | — | CN | disclosed |
| CN-1955200-A | Multi-nuclear metallocene catalyst and method for preparing synodiotactic polystyrene using the multi-nuclear metallocene catalyst | LG CHEMICAL LTD (KR) | 2007-05-02 | — | — | CN | disclosed |
| CN-1759127-A | Ultrahigh-molecular ethylene polymer | ASAHI CHEMICAL CORP (JP) | 2006-04-12 | — | — | CN | disclosed |
| US-6284700-B1 | COORDINATION POLYMERIZATION CATALYSTS | SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) | 2001-09-04 | — | — | US | disclosed |
| CN-1043232-C | Catalyst composition and use of same for oligomerizing or polymerizing olefins | SHELL INT RESEARCH (NL) | 1999-05-05 | — | — | CN | disclosed |
| CN-1128539-A | Catalyst compositions | SHELL INT RESEARCH (NL) | 1996-08-07 | — | — | CN | disclosed |
| CN-1073687-A | The selective hydrogenation of conjugated diolefin polymer | SHELL INT RESEARCH (NL) | 1993-06-30 | — | — | CN | disclosed |
| CN-1070412-A | Improving one's methods of selective hydrogenation of conjugated diene polymers | SHELL INT RESEARCH (NL) | 1993-03-31 | — | — | CN | disclosed |