⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL669620 | 0.87 | — | — | |
| Phosphine SCHEMBL7736786 | 0.75 | — | — | |
| SCHEMBL2132852 | 0.75 | — | — | |
| SCHEMBL866057 | 0.75 | — | — | |
| SCHEMBL21630982 | 0.75 | — | — | |
| Water SCHEMBL137856 | 0.75 | — | — | |
| SCHEMBL2396281 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL10788508 | 0.75 | — | — | |
| SCHEMBL22635963 | 0.75 | — | — | |
| Water SCHEMBL814552 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103736509-A | Palladium chloride-copper chloride/manganese-cerium catalyst as well as preparation method and application thereof | SH NAT ENG RES CT NANOTECH CO | 2014-04-23 | — | — | CN | disclosed |
| CN-103736509-A | Palladium chloride-copper chloride/manganese-cerium catalyst as well as preparation method and application thereof | SH NAT ENG RES CT NANOTECH CO | 2014-04-23 | — | — | CN | disclosed |
| US-7973199-B2 | Process for producing acetone from bioethanol | METAWATER CO., LTD. (JP) | 2011-07-05 | — | — | US | disclosed |
| US-20110015445-A1 | PROCESS FOR PRODUCING ACETONE FROM BIOETHANOL | METAWATER CO., LTD. (JP) | 2011-01-20 | — | — | US | disclosed |