⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1854077 | 0.80 | — | — | |
| SCHEMBL8037991 | 0.80 | — | — | |
| SCHEMBL2703489 | 0.78 | — | — | |
| SCHEMBL11071801 | 0.78 | DGAT1 (0.43) | — | |
| SCHEMBL675195 | 0.78 | CYP4F2 (0.42) | — | |
| SCHEMBL461078 | 0.77 | — | — | |
| SCHEMBL13944018 | 0.75 | MEN1 (0.38) | — | |
| SCHEMBL5613336 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL4874793 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL17430741 | 0.73 | ACHE (0.36) | — |
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-20100152160-A1 | NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS | KHAMRAI UTTAM | 2010-06-17 | — | — | US | disclosed |
| WO-2010068881-A1 | NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-06-17 | — | — | WO | disclosed |
| US-7098234-B2 | Indole derivatives, process for preparation of the same and use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2006-08-29 | — | — | US | disclosed |
| US-20040180885-A1 | Indole derivatives, process for preparation of the same and use thereof | ONO PHARMACEUTICAL CO., LTD. | 2004-09-16 | — | — | US | disclosed |
| US-6743793-B2 | DP RECEPTOR ANTAGONIST; PROSTAGLANDIN D | ONO PHARMACEUTICAL CO., LTD. (JP) | 2004-06-01 | — | — | US | disclosed |
| US-20030176400-A1 | Indole derivatives, process for preparation of the same and use thereof | ONO PHARMACEUTICALS CO., LTD. (JP) | 2003-09-18 | — | — | US | disclosed |
| EP-1262475-A1 | INDOLE DERIVATIVES, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2002-12-04 | — | — | EP | disclosed |