⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL8991493 | 1.00 | — | — | |
| Water SCHEMBL18229968 | 1.00 | — | — | |
| SCHEMBL18045212 | 1.00 | — | — | |
| SCHEMBL10979445 | 1.00 | — | — | |
| Water SCHEMBL717160 | 1.00 | — | — | |
| Water SCHEMBL717161 | 1.00 | — | — | |
| SCHEMBL7636286 | 1.00 | — | — | |
| SCHEMBL379098 | 1.00 | — | — | |
| Water SCHEMBL1014182 | 1.00 | — | — | |
| Water SCHEMBL8965395 | 1.00 | — | — |
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-4062652-A | Reagent unit intended for microanalyses of standard type and device and method for its production | ROLFO FONTANA GUDRUN B | 1977-12-13 | — | — | US | disclosed |
| US-3932131-A | PHOTOMETRIC | MONEGA ANSTALT (FL) | 1976-01-13 | — | — | US | disclosed |