⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5543975 | 0.83 | SLC6A2 (0.36) | — | |
| SCHEMBL5543927 | 0.83 | LMNA (0.31) | — | |
| SCHEMBL5548756 | 0.70 | SYK (0.45) | — | |
| SCHEMBL7542188 | 0.67 | KDM4E (0.45) | — | |
| SCHEMBL7763429 | 0.66 | MEN1 (0.41) | — | |
| SCHEMBL8878079 | 0.64 | ATM (0.38) | — | |
| SCHEMBL3391000 | 0.63 | HRH1 (0.42) | — | |
| SCHEMBL8530952 | 0.63 | KMT2A (0.34) | — | |
| SCHEMBL4729185 | 0.63 | TRPA1 (0.37) | — | |
| SCHEMBL403826 | 0.62 | TAAR1 (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7301018-B2 | Probe for mass spectrometry of liquid sample | JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) | 2007-11-27 | — | — | US | disclosed |
| US-20040142378-A1 | Probe for mass spectrometry of liquid sample | JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) | 2004-07-22 | — | — | US | disclosed |
| US-20040031122-A1 | Wiping device | VALEO WISCHERSYSTEME GMBH (DE) | 2004-02-19 | — | — | US | disclosed |