⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL248445 | 0.71 | — | — | |
| SCHEMBL8347970 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL4647424 | 0.67 | — | — | |
| Water SCHEMBL8976144 | 0.63 | — | — | |
| Sulfuric Acid SCHEMBL8777499 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL29697222 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL9067234 | 0.61 | KMT2A (0.39) | — | |
| SCHEMBL210522 | 0.52 | — | — | |
| SCHEMBL39012 | 0.51 | — | — | |
| SCHEMBL149121 | 0.51 | — | — |
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-5929175-A | MAKING POLY(4-VINYLPYRIDINE) SODIUM CARBOXYMETHYL BETAINE CHLORIDE BY REACTING SODIUM CHLOROACETATE WITH POLY(4-VINYLPYRIDINE); DYE TRANSFER INHIBITOR | ISP INVESTMENTS INC. (US) | 1999-07-27 | — | — | US | disclosed |