⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29086599 | 1.00 | — | — | |
| SCHEMBL29086606 | 1.00 | — | — | |
| SCHEMBL1314898 | 0.77 | — | — | |
| SCHEMBL12230895 | 0.76 | — | — | |
| SCHEMBL21801562 | 0.76 | — | — | |
| SCHEMBL19500290 | 0.72 | — | — | |
| SCHEMBL7415796 | 0.72 | — | — | |
| SCHEMBL1842503 | 0.72 | APLNR (0.31) | — | |
| SCHEMBL28551471 | 0.72 | — | — | |
| SCHEMBL16225018 | 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 13 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-5480987-A | 2-substituted alkyl-3-carboxy carbapenems as antibiotics and a method of producing them | AMERICAN CYANAMID COMPANY (US) | 1996-01-02 | — | — | US | claimed |
| US-5369102-A | B-lactamase inhibitors | AMERICAN CYANAMID COMPANY (US) | 1994-11-29 | — | — | US | claimed |
| US-5068232-A | Bactericides | AMERICAN CYANAMID COMPANY (US) | 1991-11-26 | — | — | US | claimed |
| CN-116829532-A | Substituted cyclohexane carboxamides, their preparation and their therapeutic use | 赛诺菲 | 2023-09-29 | — | — | CN | disclosed |
| WO-2023176458-A1 | DISINFECTING COMPOSITION CONTAINING THIAZOLE CARBOXYLIC ACID HYDRAZIDE COMPOUND | 石原産業株式会社 | 2023-09-21 | — | — | WO | disclosed |
| 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 |
| US-5480987-A | 2-substituted alkyl-3-carboxy carbapenems as antibiotics and a method of producing them | AMERICAN CYANAMID COMPANY (US) | 1996-01-02 | — | — | US | disclosed |
| US-5369102-A | B-lactamase inhibitors | AMERICAN CYANAMID COMPANY (US) | 1994-11-29 | — | — | US | disclosed |
| EP-0478874-A2 | Novel 2-substituted alkyl-3-carboxy carbapenems as antibiotics and a method of producing them | AMERICAN CYANAMID COMPANY (US) | 1992-04-08 | — | — | EP | disclosed |
| US-5068232-A | Bactericides | AMERICAN CYANAMID COMPANY (US) | 1991-11-26 | — | — | US | disclosed |