⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24606199 | 0.77 | — | — | |
| SCHEMBL10024012 | 0.71 | — | — | |
| SCHEMBL15247846 | 0.69 | THRB (0.44) | — | |
| SCHEMBL13564549 | 0.69 | DNM1 (0.42) | — | |
| Butane SCHEMBL3817179 | 0.67 | THRB (0.43) | — | |
| SCHEMBL612525 | 0.65 | TSHR (0.38) | — | |
| SCHEMBL15112 | 0.65 | — | — | |
| SCHEMBL48648 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL25197857 | 0.63 | — | — | |
| Butane SCHEMBL11067194 | 0.62 | HSD17B10 (0.31) | — |
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-20090193712-A1 | PRETREATMENT OF COAL | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) | 2009-08-06 | — | — | US | disclosed |