⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL891588 | 0.86 | — | — | |
| SCHEMBL891998 | 0.83 | — | — | |
| SCHEMBL12396641 | 0.80 | — | — | |
| SCHEMBL8731767 | 0.79 | THRB (0.31) | — | |
| SCHEMBL3840964 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL12656855 | 0.77 | MEN1 (0.33) | — | |
| SCHEMBL8744161 | 0.75 | HSD17B10 (0.41) | — | |
| SCHEMBL13880149 | 0.73 | ALDH1A1 (0.30) | — | |
| Propene SCHEMBL4595094 | 0.72 | TDP1 (0.37) | — | |
| Propene SCHEMBL3275817 | 0.72 | TDP1 (0.37) | — |
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-6337383-B1 | Polysiloxane polymers with multiple oligooxyethylene side chains | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2002-01-08 | — | — | US | disclosed |