⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21569561 | 1.00 | — | — | |
| SCHEMBL27989735 | 0.81 | — | — | |
| SCHEMBL718211 | 0.78 | — | — | |
| SCHEMBL686654 | 0.77 | — | — | |
| SCHEMBL27850665 | 0.72 | THRB (0.34) | — | |
| SCHEMBL27262100 | 0.68 | — | — | |
| SCHEMBL28026159 | 0.67 | — | — | |
| SCHEMBL12813871 | 0.67 | — | — | |
| SCHEMBL27670788 | 0.66 | LMNA (0.34) | — | |
| SCHEMBL6433464 | 0.65 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |
| EP-0105630-B1 | PRODUCTION OF PARA-CRESOL | CELGENE CORPORATION (US) | 1988-08-24 | — | — | EP | disclosed |
| US-4634668-A | INTERMEDIATE FOR P-CRESOL | CELANESE CORPORATION (US) | 1987-01-06 | — | — | US | disclosed |
| US-4542100-A | Strain of Pseudomonas putida for producing an intermediate compound in the production of para-cresol | CELANESE CORPORATION (US) | 1985-09-17 | — | — | US | disclosed |
| US-4532209-A | Using Pseudomonas putida to convert para-xylene to 4-methylcyclohexa-3,5-diene-1,2-diol-1-carboxylic acid, increasing acidity to form para-cresol | CELANESE CORPORATION (US) | 1985-07-30 | — | — | US | disclosed |
| EP-0105630-A2 | Production of para-cresol | CELGENE CORPORATION (US) | 1984-04-18 | — | — | EP | disclosed |