⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3186637 | 0.85 | EPHX1 (0.33) | — | |
| SCHEMBL18205456 | 0.73 | — | — | |
| SCHEMBL456619 | 0.72 | — | — | |
| SCHEMBL1679081 | 0.72 | — | — | |
| SCHEMBL31344344 | 0.72 | — | — | |
| SCHEMBL11307245 | 0.72 | — | — | |
| SCHEMBL7526154 | 0.72 | LMNA (0.42) | — | |
| SCHEMBL1564408 | 0.67 | LMNA (0.35) | — | |
| SCHEMBL1563621 | 0.67 | LMNA (0.35) | — | |
| SCHEMBL8222431 | 0.67 | THRB (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100016319-A1 | ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF | TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) | 2010-01-21 | — | — | US | disclosed |
| EP-1970375-A1 | ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 2008-09-17 | — | — | EP | disclosed |