⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1087784 | 0.86 | TSHR (0.50) | — | |
| SCHEMBL8259370 | 0.81 | TSHR (0.37) | — | |
| SCHEMBL7226503 | 0.80 | — | — | |
| SCHEMBL12128128 | 0.77 | — | — | |
| SCHEMBL10579974 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL2946735 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL10011409 | 0.77 | MEN1 (0.34) | — | |
| SCHEMBL7641696 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL1088688 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL3031247 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9550757-B2 | Nuclear transport modulators and uses thereof | Karyopharm Therapeutics Inc. (US) | 2017-01-24 | — | — | US | disclosed |
| US-20140155370-A1 | NUCLEAR TRANSPORT MODULATORS AND USES THEREOF | Karyopharm Therapeutics Inc. | 2014-06-05 | — | — | US | disclosed |
| US-8153839-B2 | Method for synthesis of keto acids or amino acids by hydration of acetylene compound | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2012-04-10 | — | — | US | disclosed |
| US-20090216044-A1 | METHOD FOR SYNTHESIS OF KETO ACIDS OR AMINO ACIDS BY HYDRATION OF ACETYLENE COMPOUND | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2009-08-27 | — | — | US | disclosed |
| EP-1932824-A1 | METHOD FOR SYNTHESIS OF KETO ACID OR AMINO ACID BY HYDRATION OF ACETHYLENE COMPOUND | Japan Science and Technology Agency (JP) | 2008-06-18 | — | — | EP | disclosed |