⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10903593 | 0.80 | ACLY (0.31) | — | |
| SCHEMBL12468474 | 0.75 | DPP4 (0.31) | — | |
| SCHEMBL5199772 | 0.72 | LMNA (0.30) | — | |
| SCHEMBL6359237 | 0.71 | — | — | |
| SCHEMBL2791016 | 0.71 | THRA (0.32) | — | |
| SCHEMBL20803811 | 0.68 | — | — | |
| SCHEMBL5631353 | 0.68 | CA12 (0.36) | — | |
| SCHEMBL606877 | 0.68 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL10752962 | 0.67 | CA12 (0.34) | — | |
| Hydrochloric Acid SCHEMBL10752958 | 0.67 | CA12 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5133779-A | Cationic reaction products of basic carbamides and epihalohydrins: quaternary ammonium salts as dyeing aids for cellulose | CIBA-GEIGY CORPORATION (US) | 1992-07-28 | — | — | US | disclosed |
| US-5081294-A | Quaternary ammonium salts to enhance color yield and wetfastness of dyeings/printings of cellulose fibers by an anionic dye (reactive or direct) | CIBA-GEIGY CORPORATION (US) | 1992-01-14 | — | — | US | disclosed |