⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7950114 | 1.00 | — | — | |
| SCHEMBL101239 | 0.96 | — | — | |
| SCHEMBL28249860 | 0.96 | ALDH1A1 (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL18203575 | 0.92 | — | — | |
| SCHEMBL5080842 | 0.92 | — | — | |
| Formaldehyde SCHEMBL23831096 | 0.92 | — | — | |
| Bicarbonate SCHEMBL10321480 | 0.88 | — | — | |
| Urea SCHEMBL28565582 | 0.88 | ALDH1A1 (0.46) | — | |
| SCHEMBL1905320 | 0.85 | ALDH1A1 (0.41) | — | |
| Thiourea SCHEMBL11798380 | 0.85 | — | — |
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-6261459-B1 | DECONTAMINATION AND DEODORIZATION OF WASTE WATERS BY ADDING TO SAID WASTE WATERS COMPOSITION COMPRISING SUFFICIENT AMOUNT OF ACID TO LOWER PH, COAGULANT, ALKALINE COMPOUND, WATER SOLUBLE AMINE, ORGANIC MODIFIED CLAY, POLYMERIC FLOCCULANT | POLYMER RESEARCH CORPORATION | 2001-07-17 | — | — | US | disclosed |