⚠ 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 | |
|---|---|---|---|---|
| Propyne SCHEMBL9522893 | 0.93 | — | — | |
| Propyne SCHEMBL521923 | 0.93 | — | — | |
| Propyne SCHEMBL2031 | 0.93 | — | — | |
| Propyne SCHEMBL1330783 | 0.93 | — | — | |
| Propyne SCHEMBL22983240 | 0.86 | — | — | |
| Propyne SCHEMBL21797932 | 0.86 | — | — | |
| Propyne SCHEMBL10631146 | 0.86 | — | — | |
| Propyne SCHEMBL20557227 | 0.86 | — | — | |
| Propyne SCHEMBL22749791 | 0.86 | — | — | |
| Propyne SCHEMBL830325 | 0.86 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030012700-A1 | Systems and methods for parallel testing of catalyst performance | GENERAL ELECTRIC COMPANY | 2003-01-16 | — | — | US | claimed |
| US-20030012700-A1 | Systems and methods for parallel testing of catalyst performance | GENERAL ELECTRIC COMPANY | 2003-01-16 | — | — | US | disclosed |