⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4351050 | 0.83 | LMNA (0.36) | — | |
| SCHEMBL4351053 | 0.83 | LMNA (0.36) | — | |
| SCHEMBL10975192 | 0.83 | LMNA (0.36) | — | |
| SCHEMBL28949447 | 0.78 | — | — | |
| SCHEMBL5833001 | 0.74 | — | — | |
| SCHEMBL31153196 | 0.74 | — | — | |
| SCHEMBL8664479 | 0.73 | LMNA (0.35) | — | |
| Propene SCHEMBL28435634 | 0.72 | CYP1A2 (0.33) | — | |
| SCHEMBL10802104 | 0.71 | GABRP (0.33) | — | |
| SCHEMBL1644502 | 0.70 | GRIK1 (0.31) | — |
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-5770679-A | ELASTOMERS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-06-23 | — | — | US | disclosed |