⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4531676 | 0.80 | — | — | |
| SCHEMBL4526343 | 0.79 | — | — | |
| SCHEMBL737214 | 0.78 | TSHR (0.44) | — | |
| SCHEMBL4528803 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL6394057 | 0.77 | — | — | |
| SCHEMBL4530368 | 0.76 | — | — | |
| SCHEMBL4530917 | 0.76 | TSHR (0.45) | — | |
| SCHEMBL4528142 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL15283726 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL5306425 | 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 |
|---|---|---|---|---|---|---|---|
| CN-117820079-A | Method for cis-reduction of alkynol | 浙江世佳科技股份有限公司 | 2024-04-05 | — | — | CN | disclosed |
| US-7619125-B2 | Hydrogenation promoter, hydrogenation catalyst, and process for producing alkene compound | KANTO KAGAKU KABUSHIKI KAISHA (JP) | 2009-11-17 | — | — | US | disclosed |
| US-20080033221-A1 | Hydrogenation Promoter, Hydrogenation Catalyst, and Process for Producing Alkene Compound | NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) | 2008-02-07 | — | — | US | disclosed |