⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16860626 | 0.81 | — | — | |
| SCHEMBL19964672 | 0.68 | — | — | |
| SCHEMBL25282200 | 0.66 | TUBB4A (0.40) | — | |
| SCHEMBL6030394 | 0.63 | CYP19A1 (0.45) | — | |
| SCHEMBL18314123 | 0.63 | GRM2 (0.42) | — | |
| SCHEMBL12550248 | 0.63 | — | — | |
| SCHEMBL1441164 | 0.61 | ALDH1A1 (0.40) | — | |
| SCHEMBL257509 | 0.60 | — | — | |
| SCHEMBL4944128 | 0.58 | HTR7 (0.52) | — | |
| SCHEMBL3478164 | 0.58 | HTR2A (0.63) | — |
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-3645484-B1 | METHOD FOR PREPARATION OF ALKYLATED OR FLUORO, CHLORO AND FLUOROCHLORO ALKYLATED COMPOUNDS BY HETEROGENEOUS COBALT CATALYSIS | LONZA SOLUTIONS AG (CH) | 2021-11-10 | — | — | EP | disclosed |