⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3016955 | 0.78 | AKR1B1 (0.34) | — | |
| SCHEMBL3033070 | 0.68 | AKR1B1 (0.38) | — | |
| SCHEMBL3636276 | 0.66 | CFD (0.32) | — | |
| SCHEMBL3027583 | 0.62 | HSPB1 (0.40) | — | |
| SCHEMBL3635797 | 0.62 | SLC22A12 (0.34) | — | |
| SCHEMBL3032313 | 0.61 | HSPB1 (0.38) | — | |
| SCHEMBL29822192 | 0.59 | TBK1 (0.33) | — | |
| SCHEMBL20587608 | 0.59 | TBK1 (0.33) | — | |
| SCHEMBL5251295 | 0.58 | POLB (0.44) | — | |
| SCHEMBL3032972 | 0.57 | HSPB1 (0.40) | — |
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-20100216746-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2010-08-26 | — | — | US | disclosed |