⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11778838 | 0.63 | — | — | |
| SCHEMBL14338939 | 0.59 | — | — | |
| SCHEMBL14788374 | 0.50 | — | — | |
| SCHEMBL18309268 | 0.47 | — | — | |
| SCHEMBL37630 | 0.43 | — | — | |
| SCHEMBL2741523 | 0.43 | — | — | |
| SCHEMBL8373293 | 0.43 | — | — | |
| SCHEMBL167536 | 0.43 | — | — | |
| SCHEMBL6415014 | 0.41 | — | — | |
| SCHEMBL1242095 | 0.41 | — | — |
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-20160032047-A1 | Peg-based adhesive phenylic derivatives and methods of synthesis and use | DSM IP ASSETS B.V. (NL) | 2016-02-04 | — | — | US | disclosed |