⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL231366 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL4347738 | 0.81 | — | — | |
| SCHEMBL2551844 | 0.77 | — | — | |
| SCHEMBL16497409 | 0.75 | — | — | |
| SCHEMBL2553411 | 0.74 | — | — | |
| SCHEMBL16832468 | 0.74 | — | — | |
| SCHEMBL1609026 | 0.74 | LMNA (0.30) | — | |
| SCHEMBL23530025 | 0.72 | HTT (0.30) | — | |
| SCHEMBL2549935 | 0.71 | LMNA (0.31) | — | |
| SCHEMBL28267612 | 0.71 | LMNA (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934980-A1 | Organosiloxane compositions | DOW CORNING S.A. (BE) | 1999-08-11 | — | — | EP | disclosed |
| US-5908909-A | TITANATE CONTAINING AT LEAST ONE 2,4-DIMETHYL-3-PENTOXY GROUP AS CURING CATALYST | DOW CORNING S. A. (BE) | 1999-06-01 | — | — | US | disclosed |