⚠ 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 | |
|---|---|---|---|---|
| Hydrazine SCHEMBL1013687 | 0.97 | AHR (0.54) | — | |
| Methane SCHEMBL28951024 | 0.91 | — | — | |
| Ethyne SCHEMBL27795216 | 0.88 | — | — | |
| Ethylamine SCHEMBL28458525 | 0.85 | AHR (0.48) | — | |
| SCHEMBL2578977 | 0.83 | AHR (0.52) | — | |
| SCHEMBL10353413 | 0.81 | AHR (0.50) | — | |
| Bicarbonate SCHEMBL575081 | 0.78 | AHR (0.46) | — | |
| Acetic Acid SCHEMBL28517501 | 0.78 | AHR (0.46) | — | |
| Hydrazine SCHEMBL4742183 | 0.74 | AHR (0.54) | — | |
| SCHEMBL16363790 | 0.74 | AHR (0.59) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110269763-A1 | CRTH2 receptor ligands for medicinal uses | 7TM PHARMA A/S (DK) | 2011-11-03 | — | — | US | disclosed |
| US-8022063-B2 | CRTH2 receptor ligands for medicinal uses | 7TM PHARMA A/S (DK) | 2011-09-20 | — | — | US | disclosed |
| EP-2336113-A1 | CRTH2 Receptor Ligands for Medical Use | 7TM Pharma A/S (DK) | 2011-06-22 | — | — | EP | disclosed |
| US-20090099189-A1 | CRTH2 Receptor Ligands For Medicinal Uses | 7TM PHARMA A/S (DK) | 2009-04-16 | — | — | US | disclosed |
| EP-1758579-A1 | CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES | 7TM Pharma A/S (DK) | 2007-03-07 | — | — | EP | disclosed |
| WO-2006030124-A1 | CONDENSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME | SANOFI-AVENTIS (FR) | 2006-03-23 | — | — | WO | disclosed |
| WO-2005115382-A1 | CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES | 7TM PHARMA A/S (DK) | 2005-12-08 | — | — | WO | disclosed |