⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5459480 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL30717182 | 0.76 | — | — | |
| SCHEMBL10775124 | 0.76 | CA12 (0.41) | — | |
| SCHEMBL2043495 | 0.75 | — | — | |
| SCHEMBL14712119 | 0.75 | — | — | |
| SCHEMBL2043497 | 0.75 | — | — | |
| SCHEMBL4104107 | 0.73 | — | — | |
| SCHEMBL9198478 | 0.73 | — | — | |
| SCHEMBL4104103 | 0.73 | — | — | |
| Potassium Ion SCHEMBL11657732 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-55033416-A | — | — | None | — | — | JP | disclosed |
| US-4250109-A | FROM HEXAMETHYLENEDIAMINE AND AN N-CYANO-O (OR S)-ALKYL-ISO (OR ISOTHIO)UREA | SOGO PHARMACEUTICAL COMPANY LIMITED (JP) | 1981-02-10 | — | — | US | disclosed |
| JP-S5533416-A | PRODUCTION OF HEXAMETHYENE BIS-DICYANDIAMIDE | SOGO YATSUKOU KK | 1980-03-08 | — | — | JP | disclosed |