⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19178951 | 0.86 | ACHE (0.33) | — | |
| SCHEMBL5320376 | 0.75 | — | — | |
| SCHEMBL1228670 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL8945562 | 0.70 | — | — | |
| SCHEMBL12126820 | 0.70 | — | — | |
| SCHEMBL1228152 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL11894921 | 0.69 | — | — | |
| SCHEMBL5324176 | 0.68 | — | — | |
| SCHEMBL13117372 | 0.67 | — | — | |
| SCHEMBL7167428 | 0.67 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2462097-B1 | PROCESS FOR THE MANUFACTURE OF 2-PENTYN-1-OL | DSM IP ASSETS BV (NL) | 2016-09-21 | — | — | EP | disclosed |
| EP-2462097-B1 | PROCESS FOR THE MANUFACTURE OF 2-PENTYN-1-OL | DSM IP ASSETS BV (NL) | 2016-09-21 | — | — | EP | disclosed |
| US-9045404-B2 | Process for the manufacture of 2-pentyn-1-ol | DSM IP ASSETS B.V. (NL) | 2015-06-02 | — | — | US | disclosed |
| US-9045404-B2 | Process for the manufacture of 2-pentyn-1-ol | DSM IP ASSETS B.V. (NL) | 2015-06-02 | — | — | US | disclosed |
| US-9045404-B2 | Process for the manufacture of 2-pentyn-1-ol | DSM IP ASSETS B.V. (NL) | 2015-06-02 | — | — | US | disclosed |
| US-20120197046-A1 | PROCESS FOR THE MANUFACTURE OF 2-PENTYN-1-OL | DSM IP ASSETS B.V. (NL) | 2012-08-02 | — | — | US | disclosed |
| US-20120197046-A1 | PROCESS FOR THE MANUFACTURE OF 2-PENTYN-1-OL | DSM IP ASSETS B.V. (NL) | 2012-08-02 | — | — | US | disclosed |
| US-20120197046-A1 | PROCESS FOR THE MANUFACTURE OF 2-PENTYN-1-OL | DSM IP ASSETS B.V. (NL) | 2012-08-02 | — | — | US | disclosed |
| EP-2462097-A2 | PROCESS FOR THE MANUFACTURE OF 2-PENTYN-1-OL | DSM IP Assets B.V. (NL) | 2012-06-13 | — | — | EP | disclosed |
| WO-2011015623-A2 | PROCESS FOR THE MANUFACTURE OF 2-PENTYN-1-OL | DSM IP ASSETS B.V. (NL) | 2011-02-10 | — | — | WO | disclosed |
| WO-2011015623-A2 | PROCESS FOR THE MANUFACTURE OF 2-PENTYN-1-OL | DSM IP ASSETS B.V. (NL) | 2011-02-10 | — | — | WO | disclosed |
| EP-0912499-B1 | PESTICIDES | BAYER AG (DE) | 2001-12-12 | — | — | EP | disclosed |
| US-6288071-B1 | FUNGICIDES, INSECTICIDES, MITICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-09-11 | — | — | US | disclosed |
| EP-0912499-A1 | PESTICIDES | Novartis AG (CH) | 1999-05-06 | — | — | EP | disclosed |
| WO-1997047592-A1 | PESTICIDES | NOVARTIS AG (CH) | 1997-12-18 | — | — | WO | disclosed |
| US-4948898-A | MICROBIOCIDE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 1990-08-14 | — | — | US | disclosed |
| US-4652651-A | Process for the manufacture of 1-sulpho-2-oxoazetidine carboxylic acid intermediates via catalytic ester cleavage | HOFFMANN-LA ROCHE INC. (US) | 1987-03-24 | — | — | US | disclosed |