⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL112219 | 0.75 | HMGCR (0.31) | — | |
| SCHEMBL1053744 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL10692063 | 0.70 | ACACB (0.32) | — | |
| SCHEMBL28414431 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL5464437 | 0.69 | OR51E2 (0.38) | — | |
| SCHEMBL3646440 | 0.65 | TSHR (0.50) | — | |
| SCHEMBL3650683 | 0.63 | PGD (0.47) | — | |
| SCHEMBL10526432 | 0.63 | ACACB (0.38) | — | |
| SCHEMBL21439984 | 0.62 | PTGS1 (0.37) | — | |
| SCHEMBL10583434 | 0.62 | CHRM1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003044098-A1 | IMPROVED METHOD FOR MAKING AN AQUEOUS DISPERSION | BASF CORPORATION, ALLMAN, THOMAS Y., SENIOR VICE PRESIDENT, GENERAL COUNSEL (US) | 2003-05-30 | — | — | WO | disclosed |