⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2373262 | 0.72 | — | — | |
| SCHEMBL336108 | 0.71 | TYMS (0.45) | — | |
| SCHEMBL103934 | 0.71 | — | — | |
| SCHEMBL701499 | 0.65 | METAP1 (0.35) | — | |
| SCHEMBL482879 | 0.65 | LPAR3 (0.48) | — | |
| SCHEMBL19510508 | 0.65 | — | — | |
| SCHEMBL480342 | 0.63 | — | — | |
| Phosphoric Acid SCHEMBL28117855 | 0.60 | — | — | |
| SCHEMBL4958675 | 0.58 | — | — | |
| SCHEMBL26932 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0012909-B1 | BENZIMIDAZOLYL-2-ALKANE-PHOSPHONIC ACIDS AND THEIR SALTS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS CORROSION INHIBITORS OR WETTING AGENTS | BAYER AG (DE) | 1983-06-15 | — | — | EP | claimed |
| US-4278791-A | CORROSION RESISTANCE, WETTING AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1981-07-14 | — | — | US | claimed |
| US-4278791-A | CORROSION RESISTANCE, WETTING AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1981-07-14 | — | — | US | disclosed |