⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28638172 | 1.00 | NOS3 (0.38) | — | |
| Hydrochloric Acid SCHEMBL11623064 | 0.97 | — | — | |
| SCHEMBL28675639 | 0.97 | — | — | |
| Water SCHEMBL28114483 | 0.94 | NOS3 (0.35) | — | |
| SCHEMBL3080474 | 0.74 | NOS3 (0.40) | — | |
| SCHEMBL10200205 | 0.71 | — | — | |
| SCHEMBL11171912 | 0.71 | — | — | |
| SCHEMBL27278465 | 0.69 | — | — | |
| SCHEMBL11616846 | 0.69 | NOS3 (0.32) | — | |
| SCHEMBL7157570 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| CN-1056445-A | The method that suppresses silica or siliceous gangue flotation in the mineral floating process | DOW CHEMICAL CO (US) | 1991-11-27 | — | — | CN | disclosed |
| CN-1011945-B | METHOD FOR FROTH FLOTATION USING COLLECTOR COMPOSITION | DOW CHEMICAL CO (US) | 1991-03-13 | — | — | CN | disclosed |
| US-4377591-A | CARBAPENICILLIN ANTIBIOTICS | SANKYO COMPANY, LIMITED (JP) | 1983-03-22 | — | — | US | disclosed |