⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL129851 | 1.00 | — | — | |
| SCHEMBL8591968 | 1.00 | — | — | |
| SCHEMBL13651472 | 0.77 | — | — | |
| SCHEMBL9131028 | 0.73 | — | — | |
| SCHEMBL30282391 | 0.73 | CACNA2D1 (0.39) | — | |
| SCHEMBL66883 | 0.71 | — | — | |
| SCHEMBL17580800 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL14988855 | 0.69 | — | — | |
| SCHEMBL8743510 | 0.69 | — | — | |
| SCHEMBL5047609 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0290878-B1 | Optically active compounds and process for producing thereof | CHISSO CORP (JP) | 1993-12-22 | — | — | EP | claimed |
| US-7371901-B2 | Process for the preparation of alkynols | DSM IP ASSETS B.V. (NL) | 2008-05-13 | — | — | US | disclosed |
| US-7371901-B2 | Process for the preparation of alkynols | DSM IP ASSETS B.V. (NL) | 2008-05-13 | — | — | US | disclosed |
| EP-1673327-B1 | PROCESS FOR THE PREPARATION OF ALKYNOLS | DSM IP ASSETS BV (NL) | 2008-01-16 | — | — | EP | disclosed |
| US-20070276150-A1 | Process for the Preparation of Alkynols | DSM IP ASSETS B.V. (NL) | 2007-11-29 | — | — | US | disclosed |
| US-20070276150-A1 | Process for the Preparation of Alkynols | DSM IP ASSETS B.V. (NL) | 2007-11-29 | — | — | US | disclosed |
| EP-1673327-A1 | PROCESS FOR THE PREPARATION OF ALKYNOLS | DSM IP Assets B.V. (NL) | 2006-06-28 | — | — | EP | disclosed |
| WO-2005040076-A1 | PROCESS FOR THE PREPARATIN OF ALKYNOLS | DSM IP ASSETS B.V. (NL) | 2005-05-06 | — | — | WO | disclosed |
| US-5342767-A | Transferring a hydride ion from an R-configured alcohol to the pro-R face of nicotinamide adenine dinucleotide phosphate | THE SCRIPPS RESEARCH INSTITUTE (US) | 1994-08-30 | — | — | US | disclosed |
| EP-0290878-B1 | Optically active compounds and process for producing thereof | CHISSO CORP (JP) | 1993-12-22 | — | — | EP | disclosed |
| US-5225339-A | NADPH <--> NADP | THE SCRIPPS RESEARCH INSTITUTE (US) | 1993-07-06 | — | — | US | disclosed |
| US-4882451-A | SILYL ALCOHOLS OR ESTERS | CHISSO CORPORATION (JP) | 1989-11-21 | — | — | US | disclosed |
| EP-0290878-A2 | Optically active compounds and process for producing thereof | Chisso Corporation (JP) | 1988-11-17 | — | — | EP | disclosed |