⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28028831 | 0.92 | — | — | |
| SCHEMBL35885 | 0.92 | — | — | |
| SCHEMBL3913344 | 0.88 | — | — | |
| Propane SCHEMBL3770202 | 0.88 | — | — | |
| Methane SCHEMBL19915301 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL9709306 | 0.88 | — | — | |
| SCHEMBL18813462 | 0.88 | LMNA (0.33) | — | |
| Fluoride SCHEMBL3896497 | 0.88 | — | — | |
| SCHEMBL21082731 | 0.88 | — | — | |
| Water SCHEMBL1278110 | 0.88 | — | — |
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-5908879-A | A POLYSILOXANE COATING ON THE SURFACE OF THE PARTICLE. | KURARAY CO., LTD. (JP) | 1999-06-01 | — | — | US | disclosed |