⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1254982 | 1.00 | — | — | |
| SCHEMBL16659513 | 1.00 | — | — | |
| SCHEMBL13651518 | 0.86 | — | — | |
| SCHEMBL22946767 | 0.86 | — | — | |
| Acetaldehyde SCHEMBL1255478 | 0.86 | ALDH1A1 (0.41) | — | |
| SCHEMBL12012083 | 0.78 | — | — | |
| SCHEMBL862275 | 0.78 | — | — | |
| SCHEMBL22946335 | 0.78 | — | — | |
| SCHEMBL18411838 | 0.78 | — | — | |
| SCHEMBL16374803 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2651862-B1 | SUBSTITUTED TETRAARYLBENZENES | MERCK PATENT GMBH (DE) | 2017-05-10 | — | — | EP | disclosed |
| EP-0868420-B1 | 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY | SANOFI SYNTHELABO (FR) | 2000-03-29 | — | — | EP | disclosed |
| US-5925768-A | ANTIINFLAMMATORY AGENTS; ANALGESICS, ANTICOAGULANTS, NARCOTICS | SANOFI (FR) | 1999-07-20 | — | — | US | disclosed |
| EP-0885889-A2 | Process for the preparation of pyrazole-3-carboxylic acids | SANOFI (FR) | 1998-12-23 | — | — | EP | disclosed |
| EP-0868420-A1 | 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY | SANOFI (FR) | 1998-10-07 | — | — | EP | disclosed |
| WO-1997021682-A1 | 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY | SANOFI (FR) | 1997-06-19 | — | — | WO | disclosed |
| US-3939147-A | Novel 1,2-diaza-1,5,9-cyclo dodecatrienes and 1,2-diaza-1-cyclododecenes | CIBA-GEIGY CORPORATION (US) | 1976-02-17 | — | — | US | disclosed |