⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL142354 | 0.80 | — | — | |
| SCHEMBL11206947 | 0.74 | — | — | |
| SCHEMBL2044466 | 0.72 | — | — | |
| SCHEMBL13282 | 0.69 | — | — | |
| SCHEMBL8166671 | 0.69 | — | — | |
| SCHEMBL10636532 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL25412608 | 0.65 | — | — | |
| Methane SCHEMBL3677630 | 0.65 | — | — | |
| SCHEMBL5163980 | 0.65 | — | — | |
| Charcoal, Activated SCHEMBL874619 | 0.65 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6090912-A | MULTIPLICITY OF SEPARATE SOLID SUPPORTS WITH SURFACE HAVING SUCEPTIBLE LINKER TO SINGLE SPECIES OF TEST COMPOUND AND WITH INTERIOR HAVING ATTACHED NON-CLEAVABLE CODING MOLECULE; FOR SCREENING LIGANDS OR ACCEPTORS | SELECTIDE CORPORATION (US) | 2000-07-18 | — | — | US | disclosed |
| EP-0705279-A4 | TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES | SELECTIDE CORP (US) | 1999-03-24 | — | — | EP | disclosed |
| US-5840485-A | SYNTHETIC TEST COMPOUNDS ATTACHED TO SEPARATE PHASE SYNTHESIS SUPPORTS THAT ALSO CONTAIN CODING MOLECULES THAT ENCODE THE STRUCTURE OF THE SYNTHETIC TEST COMPOUND | SELECTIDE CORPORATION (US) | 1998-11-24 | — | — | US | disclosed |
| EP-0705279-A1 | TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES | SELECTIDE CORPORATION (US) | 1996-04-10 | — | — | EP | disclosed |
| WO-1994028028-A1 | TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES | SELECTIDE CORPORATION (US) | 1994-12-08 | — | — | WO | disclosed |