⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6970589 | 0.72 | — | — | |
| SCHEMBL19405570 | 0.70 | — | — | |
| SCHEMBL19405503 | 0.69 | — | — | |
| SCHEMBL19405360 | 0.69 | — | — | |
| SCHEMBL19405651 | 0.68 | — | — | |
| SCHEMBL19405400 | 0.68 | — | — | |
| SCHEMBL19405575 | 0.68 | — | — | |
| SCHEMBL182120 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL19405562 | 0.68 | — | — | |
| SCHEMBL17926185 | 0.68 | MAOB (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4614649-A | CHLORHEXIDINE OR OCTENIDINE SACCHARIN SALTS WITH POLISHING AND FOAMING AGENTS | STERLING DRUG INC. (US) | 1986-09-30 | — | — | US | disclosed |
| EP-0161425-A2 | Antimicrobial surface degerming compositions | STERLING DRUG INC. (US) | 1985-11-21 | — | — | EP | disclosed |
| EP-0144960-A2 | Dentrifice compositions | STERLING DRUG INC. (US) | 1985-06-19 | — | — | EP | disclosed |
| US-4053636-A | 1,1'-ALKYLENE-BIS(5-(P-(2,2 -DICHLOROCYCLOPROPYL)PHENYL)BIGUANIDINES) AS ANTIMICROBIALS | STERLING DRUG INC. (US) | 1977-10-11 | — | — | US | disclosed |
| US-4053636-A | 1,1'-ALKYLENE-BIS(5-(P-(2,2 -DICHLOROCYCLOPROPYL)PHENYL)BIGUANIDINES) AS ANTIMICROBIALS | STERLING DRUG INC. (US) | 1977-10-11 | — | — | US | disclosed |