Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL854798 | 0.86 | TDP1 (0.30) | — | |
| SCHEMBL127109 | 0.85 | — | — | |
| Water SCHEMBL28392636 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL27749504 | 0.84 | — | — | |
| SCHEMBL1155350 | 0.79 | — | — | |
| Water SCHEMBL28400902 | 0.77 | — | — | |
| SCHEMBL3277976 | 0.74 | CHRM1 (0.43) | — | |
| Methacrylic Acid SCHEMBL28298447 | 0.74 | — | — | |
| Sulfuric Acid SCHEMBL9300542 | 0.74 | TDP1 (0.30) | — | |
| SCHEMBL1061972 | 0.73 | ALDH1A1 (0.38) | — |
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-5068297-A | Polymers for dewatering sludge and wastes | NALCO CHEMICAL COMPANY (US) | 1991-11-26 | — | — | US | disclosed |