⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18254478 | 0.81 | TDP1 (0.33) | — | |
| SCHEMBL22607064 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL18999660 | 0.74 | GABRA1 (0.37) | — | |
| SCHEMBL20314909 | 0.72 | PRKCI (0.42) | — | |
| SCHEMBL26141092 | 0.72 | RHEB (0.35) | — | |
| SCHEMBL20314845 | 0.72 | NQO2 (0.33) | — | |
| SCHEMBL24992253 | 0.70 | NQO2 (0.32) | — | |
| SCHEMBL23809345 | 0.68 | SLC22A12 (0.42) | — | |
| SCHEMBL2737345 | 0.66 | NQO2 (0.48) | — | |
| SCHEMBL16743120 | 0.64 | NQO2 (0.34) | — |
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-9822107-B2 | Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-11-21 | — | — | US | disclosed |