⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28278493 | 1.00 | PTGS1 (0.40) | — | |
| SCHEMBL1374969 | 1.00 | — | — | |
| SCHEMBL15042 | 0.96 | — | — | |
| SCHEMBL871351 | 0.96 | FFAR3 (0.43) | — | |
| SCHEMBL8163204 | 0.96 | FFAR3 (0.43) | — | |
| SCHEMBL338643 | 0.96 | FFAR3 (0.43) | — | |
| SCHEMBL1396002 | 0.96 | FFAR3 (0.43) | — | |
| SCHEMBL133954 | 0.96 | — | — | |
| SCHEMBL18814 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL3838334 | 0.93 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102481233-A | Collapsible water-containing capsules | PROCTER & GAMBLE | 2012-05-30 | — | — | CN | disclosed |
| US-20110288252-A1 | DIALKOXY- OR DIHYDROXYPHENYL RADICALS CONTAINING SILANES, ADHESIVES PRODUCED THEREFROM AND METHOD FOR PRODUCING SILANES AND ADHESIVES | FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) | 2011-11-24 | — | — | US | disclosed |