⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7598509 | 0.77 | CA12 (0.38) | — | |
| SCHEMBL21196736 | 0.77 | CA12 (0.38) | — | |
| SCHEMBL15353381 | 0.74 | — | — | |
| SCHEMBL34469833 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL8570438 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL18261537 | 0.70 | CYP2D6 (0.43) | — | |
| SCHEMBL8928176 | 0.70 | CYP2D6 (0.31) | — | |
| SCHEMBL15552357 | 0.69 | CA12 (0.44) | — | |
| SCHEMBL7600192 | 0.68 | ALDH1A1 (0.42) | — | |
| SCHEMBL16767203 | 0.68 | CYP2D6 (0.31) | — |
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-5258514-A | For thermosetting resins | AMERICAN CYANAMID COMPANY (US) | 1993-11-02 | — | — | US | disclosed |
| EP-0246483-B1 | URETHANE-FUNCTIONAL S-TRIAZINE CROSSLINKING AGENTS AND CURABLE COMPOSITIONS CONTAINING THE SAME | AMERICAN CYANAMID COMPANY (US) | 1993-03-17 | — | — | EP | disclosed |
| US-5138055-A | Urethane-functional s-triazine crosslinking agents | AMERICAN CYANAMID COMPANY (US) | 1992-08-11 | — | — | US | disclosed |
| US-4742118-A | THERMOSETTABLE; LIGHT STABLE COATINGS | AMERICAN CYANAMID COMPANY (US) | 1988-05-03 | — | — | US | disclosed |
| EP-0246483-A2 | Urethane-functional s-triazine crosslinking agents and curable compositions containing the same | AMERICAN CYANAMID COMPANY (US) | 1987-11-25 | — | — | EP | disclosed |