⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13479978 | 0.81 | TSHR (0.50) | — | |
| SCHEMBL28704230 | 0.75 | — | — | |
| SCHEMBL985722 | 0.75 | — | — | |
| SCHEMBL8036555 | 0.74 | — | — | |
| SCHEMBL3281355 | 0.74 | — | — | |
| SCHEMBL8036549 | 0.74 | — | — | |
| SCHEMBL8936888 | 0.74 | — | — | |
| SCHEMBL3281352 | 0.74 | — | — | |
| SCHEMBL21634420 | 0.74 | — | — | |
| SCHEMBL7535378 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9701601-B2 | Optically active axially chiral alpha-allenic alcohol, synthesis method and use thereof | SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) | 2017-07-11 | — | — | US | disclosed |
| US-9701601-B2 | Optically active axially chiral alpha-allenic alcohol, synthesis method and use thereof | SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) | 2017-07-11 | — | — | US | disclosed |
| US-20150105567-A1 | OPTICALLY ACTIVE AXIALLY CHIRAL ALPHA-ALLENIC ALCOHOL, SYNTHESIS METHOD AND USE THEREOF | SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) | 2015-04-16 | — | — | US | disclosed |