⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9918691 | 0.75 | PKM (0.31) | — | |
| SCHEMBL9918689 | 0.73 | — | — | |
| SCHEMBL9152681 | 0.69 | SLC6A3 (0.40) | — | |
| SCHEMBL9918694 | 0.67 | P2RX7 (0.33) | — | |
| SCHEMBL9413695 | 0.65 | NPC1 (0.37) | — | |
| SCHEMBL16388924 | 0.65 | — | — | |
| SCHEMBL12066241 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL7868618 | 0.65 | IDO1 (0.32) | — | |
| SCHEMBL12066288 | 0.64 | HPGD (0.35) | — | |
| SCHEMBL3411353 | 0.64 | ALOX15 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120149662-A1 | Heterocyclic Compounds as Janus Kinase Inhibitors | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | US | disclosed |