⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11214566 | 0.74 | MCL1 (0.30) | — | |
| SCHEMBL2891916 | 0.72 | — | — | |
| SCHEMBL62916 | 0.69 | — | — | |
| SCHEMBL10746548 | 0.69 | — | — | |
| SCHEMBL28190818 | 0.69 | — | — | |
| SCHEMBL4845737 | 0.67 | — | — | |
| SCHEMBL100367 | 0.67 | — | — | |
| Methane SCHEMBL8513662 | 0.67 | — | — | |
| SCHEMBL9483414 | 0.67 | — | — | |
| SCHEMBL4467259 | 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 |
|---|---|---|---|---|---|---|---|
| US-5095113-A | Preparation of methyl-1,3-5-triazines | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-03-10 | — | — | US | disclosed |