⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10587246 | 0.92 | CYP2C19 (0.30) | — | |
| SCHEMBL3431406 | 0.78 | — | — | |
| SCHEMBL11664080 | 0.76 | CYP2C19 (0.38) | — | |
| SCHEMBL11818610 | 0.76 | CYP2C19 (0.33) | — | |
| SCHEMBL517571 | 0.76 | — | — | |
| SCHEMBL14261470 | 0.76 | CYP2C19 (0.32) | — | |
| SCHEMBL7133535 | 0.74 | — | — | |
| SCHEMBL23970537 | 0.73 | — | — | |
| SCHEMBL11634222 | 0.72 | CYP2C19 (0.50) | — | |
| SCHEMBL16151058 | 0.72 | CYP2C19 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003046048-A1 | PROCESS FOR ALKYLATION OF AN ALKOXYLATED MONO DI, TRI OR POLYHYDRIC COMPOUND | PERSTORP SPECIALTY CHEMICALS AB (SE) | 2003-06-05 | — | — | WO | claimed |
| WO-2003046048-A1 | PROCESS FOR ALKYLATION OF AN ALKOXYLATED MONO DI, TRI OR POLYHYDRIC COMPOUND | PERSTORP SPECIALTY CHEMICALS AB (SE) | 2003-06-05 | — | — | WO | disclosed |