⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7567131 | 0.96 | — | — | |
| SCHEMBL21160242 | 0.88 | — | — | |
| SCHEMBL28638007 | 0.72 | — | — | |
| SCHEMBL277607 | 0.69 | — | — | |
| SCHEMBL17814 | 0.69 | — | — | |
| Water SCHEMBL2333523 | 0.65 | — | — | |
| SCHEMBL626515 | 0.65 | — | — | |
| Phosphine SCHEMBL8099133 | 0.65 | — | — | |
| SCHEMBL8099138 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL8566348 | 0.65 | — | — |
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-2002081487-A1 | LOW CONCENTRATION RATES | PT. MITRA CHEMINDO SEJATI (ID) | 2002-10-17 | — | — | WO | claimed |
| WO-2002081487-A1 | LOW CONCENTRATION RATES | PT. MITRA CHEMINDO SEJATI (ID) | 2002-10-17 | — | — | WO | disclosed |