⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6076550 | 0.74 | ALDH1A1 (0.34) | — | |
| SCHEMBL15068425 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL6950092 | 0.71 | MTNR1A (0.44) | — | |
| SCHEMBL11100915 | 0.71 | CYP3A4 (0.42) | — | |
| SCHEMBL10581993 | 0.71 | BCL2L1 (0.38) | — | |
| SCHEMBL23343870 | 0.69 | TDP1 (0.30) | — | |
| SCHEMBL2449752 | 0.67 | — | — | |
| SCHEMBL11174190 | 0.67 | AHR (0.38) | — | |
| SCHEMBL1172294 | 0.67 | CYP3A4 (0.33) | — | |
| SCHEMBL11104048 | 0.67 | MAP3K14 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2041069-A1 | BENZYL AMINES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-04-01 | — | — | EP | disclosed |
| WO-2008006627-A1 | BENZYL AMINES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-01-17 | — | — | WO | disclosed |