⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9139959 | 1.00 | — | — | |
| SCHEMBL5252582 | 1.00 | — | — | |
| SCHEMBL4381095 | 0.95 | — | — | |
| SCHEMBL18737334 | 0.78 | — | — | |
| SCHEMBL17021392 | 0.78 | — | — | |
| SCHEMBL12320435 | 0.72 | — | — | |
| SCHEMBL18602992 | 0.72 | — | — | |
| SCHEMBL8510472 | 0.72 | — | — | |
| SCHEMBL22726509 | 0.71 | — | — | |
| SCHEMBL19304289 | 0.66 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4116875-A | Multifunctional substituted triazine functional fluid additives and compositions containing same | MOBIL OIL CORPORATION (US) | 1978-09-26 | — | — | US | disclosed |
| US-4113725-A | PYRIMIDINE-PYRROLIDONE COMPOUND, DETERGENTS, ANTIOXIDANTS | MOBIL OIL CORPORATION (US) | 1978-09-12 | — | — | US | disclosed |