⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27952994 | 0.82 | CYP1A1 (0.34) | — | |
| SCHEMBL27596836 | 0.79 | — | — | |
| SCHEMBL1723987 | 0.75 | — | — | |
| SCHEMBL2153345 | 0.74 | — | — | |
| SCHEMBL28049509 | 0.74 | ADH1B (0.39) | — | |
| SCHEMBL7719394 | 0.72 | — | — | |
| SCHEMBL20917736 | 0.72 | — | — | |
| SCHEMBL7827743 | 0.72 | ADH1B (0.42) | — | |
| SCHEMBL11131652 | 0.72 | ADH1B (0.42) | — | |
| SCHEMBL102902 | 0.71 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105385454-A | Liquid crystal orientation agent, liquid crystal orientation film and liquid crystal display element | JSR CORP | 2016-03-09 | — | — | CN | disclosed |
| CN-102762203-A | Prodrugs of inhibitors of plasma kallikrein | ACTIVESITE PHARMACEUTICALS INC | 2012-10-31 | — | — | CN | disclosed |
| CN-101351120-A | Solid crop protection agents containing polyalkoxylate, method for their production and use thereof | BASF SE (DE) | 2009-01-21 | — | — | CN | disclosed |
| CN-100391730-C | Copper surface treatment for preventing microcrack in soft circuit | GA TURCH INC (US) | 2008-06-04 | — | — | CN | disclosed |
| CN-1267596-A | Copper surface treatment for preventing microcrack in soft circuit | GA TURCH INC (US) | 2000-09-27 | — | — | CN | disclosed |
| US-4313838-A | Preparation and use of xanthogen chloropropyl formate flotation reagents | ESSEX CHEMICAL CORPORATION | 1982-02-02 | — | — | US | disclosed |
| US-4313838-A | Preparation and use of xanthogen chloropropyl formate flotation reagents | ESSEX CHEMICAL CORPORATION | 1982-02-02 | — | — | US | disclosed |
| US-4191641-A | COPPER SULFIDE ORES | Mineric Corporation (US) | 1980-03-04 | — | — | US | disclosed |
| US-4191641-A | COPPER SULFIDE ORES | Mineric Corporation (US) | 1980-03-04 | — | — | US | disclosed |