⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1161621 | 0.93 | CCR2 (0.40) | — | |
| Benzene SCHEMBL27483839 | 0.88 | ALDH1A1 (0.40) | — | |
| SCHEMBL5155720 | 0.80 | — | — | |
| SCHEMBL27392110 | 0.78 | RAB9A (0.33) | — | |
| SCHEMBL34015 | 0.74 | CCR2 (0.43) | — | |
| SCHEMBL9901036 | 0.74 | CCR2 (0.43) | — | |
| Nitrobenzene SCHEMBL27557416 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL9120801 | 0.72 | L3MBTL1 (0.34) | — | |
| SCHEMBL17101670 | 0.72 | CCR2 (0.42) | — | |
| SCHEMBL31074860 | 0.72 | CCR2 (0.42) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010034110-A1 | BETA-CARBOLINE SULPHONYLUREA DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS | MERCK FROSST CANADA LTD. (CA) | 2010-04-01 | — | — | WO | disclosed |
| US-20090306082-A1 | NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLENMARK PHARMACEUTICALS S.A. (CH) | 2009-12-10 | — | — | US | disclosed |
| EP-0476107-B1 | PROCESS FOR IDENTIFYING CANDIDA ALBICANS BY MEANS OF CHROMOGENIC SUBSTANCES | STAGO DIAGNOSTICA (FR) | 1996-06-19 | — | — | EP | disclosed |
| US-5449612-A | Process for identifying candida by means of chromogenic substances | SERBIO (FR) | 1995-09-12 | — | — | US | disclosed |
| WO-1991014787-A1 | PROCESS FOR IDENTIFYING CANDIDA BY MEANS OF CHROMOGENIC SUBSTANCES | SERBIO (FR) | 1991-10-03 | — | — | WO | disclosed |