⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15078085 | 0.72 | — | — | |
| SCHEMBL6485846 | 0.69 | — | — | |
| SCHEMBL14809939 | 0.67 | — | — | |
| SCHEMBL28173833 | 0.67 | — | — | |
| SCHEMBL8956667 | 0.67 | — | — | |
| SCHEMBL11792338 | 0.67 | — | — | |
| SCHEMBL125404 | 0.65 | — | — | |
| SCHEMBL4451693 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL27917317 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL27676159 | 0.65 | — | — |
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-20110110998-A1 | POLYSILOXANE ANTIMICROBIALS | BASF SE (DE) | 2011-05-12 | — | — | US | disclosed |