⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL949 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL894688 | 0.90 | — | — | |
| SCHEMBL8157042 | 0.90 | — | — | |
| Water SCHEMBL4995754 | 0.90 | — | — | |
| Methane SCHEMBL7502484 | 0.90 | TSHR (0.44) | — | |
| Methylene Chloride SCHEMBL5679533 | 0.86 | TSHR (0.50) | — | |
| Methylene Chloride SCHEMBL7537653 | 0.86 | TSHR (0.50) | — | |
| Methylene Chloride SCHEMBL2392102 | 0.86 | TSHR (0.50) | — | |
| Methylene Chloride SCHEMBL703430 | 0.86 | TSHR (0.50) | — | |
| Methylene Chloride SCHEMBL1728893 | 0.86 | TSHR (0.50) | — |
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-105646200-A | Method for producing 2-isopropenyl-5-methyl-4-hexen-1-yl 3-methyl-2-butenoate | 信越化学工业株式会社 | 2016-06-08 | — | — | CN | disclosed |
| CN-101903103-B | Process for preparing propylene random copolymers | BOREALIS TECH OY | 2013-11-13 | — | — | CN | disclosed |
| CN-101903412-B | Catalyst with low surface area | BOREALIS TECH OY | 2013-06-05 | — | — | CN | disclosed |
| CN-101903411-B | Process for the manufacture of heterophasic propylene copolymer | BOREALIS TECH OY | 2013-04-03 | — | — | CN | disclosed |
| CN-102295722-B | Propylene random copolymers with high comonomer | BOREALIS TECH OY | 2013-03-20 | — | — | CN | disclosed |
| CN-102295722-A | Propylene random copolymers with high comonomer | — | 2011-12-28 | — | — | CN | disclosed |
| CN-101903412-A | Catalyst with low surface area | BOREALIS TECH OY | 2010-12-01 | — | — | CN | disclosed |
| CN-101903103-A | Process for preparing propylene random copolymers | BOREALIS TECH OY | 2010-12-01 | — | — | CN | disclosed |
| CN-101903411-A | Process for the manufacture of heterophasic propylene copolymer | BOREALIS TECH OY | 2010-12-01 | — | — | CN | disclosed |