⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3531493 | 0.83 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL8664751 | 0.81 | — | — | |
| SCHEMBL4904987 | 0.81 | PTK2 (0.35) | — | |
| SCHEMBL4906438 | 0.69 | PTK2 (0.32) | — | |
| SCHEMBL4904755 | 0.67 | SLC18A3 (0.41) | — | |
| Silicate SCHEMBL11801775 | 0.67 | — | — | |
| SCHEMBL4893255 | 0.67 | PTK2 (0.31) | — | |
| SCHEMBL1979655 | 0.63 | — | — | |
| SCHEMBL4907261 | 0.63 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL3821383 | 0.61 | CHRM2 (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000060043-A1 | COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE | UNILEVER PLC (GB) | 2000-10-12 | — | — | WO | disclosed |