⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3191553 | 0.90 | ALDH1A1 (0.38) | — | |
| SCHEMBL15159324 | 0.85 | CA2 (0.31) | — | |
| SCHEMBL15150280 | 0.83 | — | — | |
| SCHEMBL26384834 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL8766889 | 0.82 | — | — | |
| SCHEMBL17773576 | 0.80 | — | — | |
| SCHEMBL14832804 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL6971201 | 0.77 | — | — | |
| SCHEMBL6066699 | 0.76 | — | — | |
| SCHEMBL705250 | 0.75 | ALDH1A1 (0.39) | — |
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-7189868-B2 | Cyclic siloxane compounds and making method | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2007-03-13 | — | — | US | disclosed |