⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL60642 | 1.00 | — | — | |
| SCHEMBL60643 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL9958332 | 0.97 | — | — | |
| SCHEMBL4304918 | 0.97 | — | — | |
| SCHEMBL4313651 | 0.97 | — | — | |
| SCHEMBL4312137 | 0.97 | — | — | |
| 1,6-Hexanediol SCHEMBL8150467 | 0.87 | TSHR (0.44) | — | |
| Pyridine SCHEMBL27705476 | 0.81 | TSHR (0.39) | — | |
| SCHEMBL13040317 | 0.79 | — | — | |
| SCHEMBL17276912 | 0.79 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10450252-B2 | Method for hydrogenating carboxylic acids in order to form alcohols | BASF SE (DE) | 2019-10-22 | — | — | US | disclosed |
| US-20190112245-A1 | METHOD FOR HYDROGENATING CARBOXYLIC ACIDS IN ORDER TO FORM ALCOHOLS | BASF SE (DE) | 2019-04-18 | — | — | US | disclosed |
| EP-3436420-A1 | METHOD FOR HYDROGENATING CARBOXYLIC ACIDS IN ORDER TO FORM ALCOHOLS | BASF SE (DE) | 2019-02-06 | — | — | EP | disclosed |
| WO-2017167772-A1 | METHOD FOR HYDROGENATING CARBOXYLIC ACIDS IN ORDER TO FORM ALCOHOLS | BASF SE (DE) | 2017-10-05 | — | — | WO | disclosed |
| US-20140343227-A1 | Diketopiperazine Forming Dipeptidyl Linker | LONZA AG (CH) | 2014-11-20 | — | — | US | disclosed |
| US-20140343227-A1 | Diketopiperazine Forming Dipeptidyl Linker | LONZA AG (CH) | 2014-11-20 | — | — | US | disclosed |
| US-8802819-B2 | Diketopiperazine forming dipeptidyl linker | LONZA LTD. (CH) | 2014-08-12 | — | — | US | disclosed |
| US-8802819-B2 | Diketopiperazine forming dipeptidyl linker | LONZA LTD. (CH) | 2014-08-12 | — | — | US | disclosed |
| WO-2012055509-A1 | DIKETOPIPERAZINE FORMING DIPEPTIDYL LINKER | LONZA LTD (CH) | 2012-05-03 | — | — | WO | disclosed |
| EP-1663219-B1 | USE OF INDOLE-DERIVED COMPOUNDS FOR THE PREPARATION OF A MEDICAMENT THAT CAN BE USED TO TREAT DISEASES RELATED TO THE SPLICING PROCESS | CENTRE NAT RECH SCIENT (FR) | 2010-05-12 | — | — | EP | disclosed |
| US-20050192346-A1 | Process for making nitric oxide releasing prodrugs of diaryl-2-(5H)-furanones as cyclooxygenase-2 inhibitors | SHI YAO-JUN (US) | 2005-09-01 | — | — | US | disclosed |