⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL752776 | 0.76 | — | — | |
| SCHEMBL3990051 | 0.76 | — | — | |
| SCHEMBL12499910 | 0.73 | — | — | |
| SCHEMBL6754249 | 0.73 | — | — | |
| SCHEMBL14270899 | 0.73 | — | — | |
| SCHEMBL11859358 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL14459275 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL12241907 | 0.69 | CYP2A6 (0.54) | — | |
| SCHEMBL1242320 | 0.68 | KMT2A (0.52) | — | |
| SCHEMBL11864897 | 0.68 | HSD17B3 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040214232-A1 | Generation of skeletal diversity within a combinatorial library | HOWARD HUGHES MEDICAL INSTITUTE | 2004-10-28 | — | — | US | disclosed |