⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9639739 | 1.00 | — | — | |
| SCHEMBL8072833 | 0.69 | — | — | |
| SCHEMBL11759040 | 0.69 | — | — | |
| SCHEMBL6963480 | 0.69 | — | — | |
| Water SCHEMBL9823456 | 0.69 | — | — | |
| SCHEMBL9052205 | 0.69 | — | — | |
| SCHEMBL8173097 | 0.69 | — | — | |
| SCHEMBL6185699 | 0.69 | — | — | |
| SCHEMBL6963488 | 0.69 | — | — | |
| SCHEMBL11302358 | 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 |
|---|---|---|---|---|---|---|---|
| US-5126453-A | Chemical intermediate for Minoxidil | L'OREAL (FR) | 1992-06-30 | — | — | US | disclosed |
| US-4985563-A | Hypotensive Agent; Reacting a Diaminopyrimidine with an Isocyanate, oxidation | L'OREAL (FR) | 1991-01-15 | — | — | US | disclosed |
| US-4032559-A | PICKLING INHIBITORS, HYPOTENSIVE, SALTS OF MOTHPROOFING AGENTS | THE UPJOHN COMPANY (US) | 1977-06-28 | — | — | US | disclosed |
| US-3910928-A | 3-(Cyanimino)-propionitriles | UPJOHN CO | 1975-10-07 | — | — | US | disclosed |