⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL419046 | 0.58 | — | — | |
| SCHEMBL17676175 | 0.55 | — | — | |
| SCHEMBL987513 | 0.55 | LMNA (0.33) | — | |
| SCHEMBL1412724 | 0.53 | — | — | |
| SCHEMBL8405901 | 0.52 | LMNA (0.42) | — | |
| SCHEMBL10442383 | 0.52 | — | — | |
| SCHEMBL8406345 | 0.52 | — | — | |
| SCHEMBL9569722 | 0.49 | — | — | |
| SCHEMBL7640256 | 0.49 | — | — | |
| Lindane SCHEMBL8677102 | 0.47 | LMNA (0.46) | — |
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-6359164-B1 | FROM ALDEHYDE AND TRI(CHLORO OR BROMO)ACETIC ACID IN PRESENS EOF BASIC CATALYST | DUPONT PHARMACEUTICALS COMPANY | 2002-03-19 | — | — | US | disclosed |