⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8680804 | 0.72 | — | — | |
| SCHEMBL18977830 | 0.72 | — | — | |
| SCHEMBL9524 | 0.70 | — | — | |
| SCHEMBL20018526 | 0.70 | — | — | |
| SCHEMBL11988957 | 0.70 | — | — | |
| SCHEMBL24785697 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL16570059 | 0.68 | — | — | |
| SCHEMBL10415115 | 0.68 | — | — | |
| Methane SCHEMBL10699216 | 0.68 | — | — | |
| SCHEMBL10413853 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2410031-A1 | BASE MATERIAL FOR SPRAYING COMPRISING LOW-MOLECULAR GELLING AGENT | Nissan Chemical Industries, Ltd. (JP) | 2012-01-25 | — | — | EP | disclosed |