⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL613954 | 0.89 | — | — | |
| SCHEMBL4895125 | 0.82 | — | — | |
| Thiocyanic Acid SCHEMBL28694942 | 0.78 | — | — | |
| Guanidine SCHEMBL5867103 | 0.77 | — | — | |
| Pimagedine SCHEMBL8582100 | 0.68 | — | — | |
| Thiocyanic Acid SCHEMBL19458346 | 0.68 | CA1 (0.38) | — | |
| Guanidine SCHEMBL28934995 | 0.68 | CA1 (0.38) | — | |
| SCHEMBL8222231 | 0.68 | — | — | |
| Guanidine SCHEMBL8647467 | 0.67 | — | — | |
| Guanidine SCHEMBL2949590 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115433376-A | Preparation method of long-acting disinfection and sterilization fabric or fiber | 孙国明 | 2022-12-06 | — | — | CN | disclosed |