⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3693644 | 0.88 | CHRNB2 (0.31) | — | |
| SCHEMBL3686840 | 0.70 | KMT2A (0.41) | — | |
| SCHEMBL477281 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL11201485 | 0.64 | LMNA (0.33) | — | |
| SCHEMBL3690670 | 0.62 | CYP2D6 (0.33) | — | |
| SCHEMBL19947572 | 0.58 | — | — | |
| SCHEMBL28161232 | 0.54 | ALDH1A1 (0.39) | — | |
| SCHEMBL22849543 | 0.54 | HSD11B1 (0.37) | — | |
| SCHEMBL909008 | 0.54 | MITF (0.37) | — | |
| SCHEMBL25146429 | 0.53 | CHRNB2 (0.36) | — |
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-2239260-A1 | Novel compounds with antibacterial activity | Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) | 2010-10-13 | — | — | EP | disclosed |