⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5699118 | 0.81 | HSD17B10 (0.30) | — | |
| SCHEMBL2266563 | 0.76 | — | — | |
| SCHEMBL646068 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL4864927 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL4864943 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL2401113 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL7609791 | 0.70 | TSHR (0.40) | — | |
| SCHEMBL12359165 | 0.70 | — | — | |
| SCHEMBL25266517 | 0.67 | — | — | |
| SCHEMBL4705904 | 0.67 | CTSD (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6586644-B2 | Reacting aldehyde compound and terminal acetylene in presence of optically active amino alcohol, using tertiary amine and zinc halogenated lower alkane sulfonate as catalyst | Carreira, Erick M. (CH) | 2003-07-01 | — | — | US | claimed |
| US-20030088100-A1 | Process for producing optically active propargyl alcohols | SUMIKA FINE CHEMICALS CO., LTD. | 2003-05-08 | — | — | US | claimed |
| US-6586644-B2 | Reacting aldehyde compound and terminal acetylene in presence of optically active amino alcohol, using tertiary amine and zinc halogenated lower alkane sulfonate as catalyst | Carreira, Erick M. (CH) | 2003-07-01 | — | — | US | disclosed |
| US-20030088100-A1 | Process for producing optically active propargyl alcohols | SUMIKA FINE CHEMICALS CO., LTD. | 2003-05-08 | — | — | US | disclosed |