⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL95520 | 0.95 | — | — | |
| Urea SCHEMBL329184 | 0.78 | — | — | |
| Phosphoric Acid SCHEMBL14993414 | 0.78 | LAP3 (0.39) | — | |
| SCHEMBL28194445 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL27856834 | 0.73 | — | — | |
| SCHEMBL17040569 | 0.70 | — | — | |
| Propane SCHEMBL6664442 | 0.68 | — | — | |
| SCHEMBL12454768 | 0.67 | — | — | |
| SCHEMBL97348 | 0.67 | — | — | |
| SCHEMBL140787 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2020165069-A1 | NON-CHLORINATED OPEN PLANT CLEANING COMPOSITION | BASF SE (DE) | 2020-08-20 | — | — | WO | disclosed |