⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5321452 | 0.86 | CA2 (0.48) | — | |
| SCHEMBL15751022 | 0.80 | CHRM1 (0.52) | — | |
| SCHEMBL19812464 | 0.80 | CHRM1 (0.52) | — | |
| SCHEMBL9422503 | 0.80 | — | — | |
| SCHEMBL11090151 | 0.78 | — | — | |
| SCHEMBL28716471 | 0.78 | — | — | |
| SCHEMBL2554935 | 0.78 | — | — | |
| SCHEMBL5597644 | 0.77 | CHRM1 (0.44) | — | |
| SCHEMBL15751056 | 0.76 | CHRM1 (0.54) | — | |
| SCHEMBL22689615 | 0.76 | CHRM1 (0.48) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1583972-A2 | CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS | HK Pharmaceuticals, Inc. (US) | 2005-10-12 | — | — | EP | disclosed |
| WO-2004064972-A2 | CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS | HK PHARMACEUTICALS, INC. (US) | 2004-08-05 | — | — | WO | disclosed |