⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2252954 | 0.81 | — | — | |
| SCHEMBL12475284 | 0.78 | — | — | |
| SCHEMBL7760520 | 0.78 | — | — | |
| SCHEMBL11199752 | 0.72 | — | — | |
| SCHEMBL6552463 | 0.72 | — | — | |
| SCHEMBL11312587 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL7771004 | 0.69 | — | — | |
| SCHEMBL167808 | 0.69 | — | — | |
| SCHEMBL12657733 | 0.69 | — | — | |
| SCHEMBL18549814 | 0.67 | — | — |
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-5336329-A | Treating contaminated surfaces with particles of partially decomposed macroporous polymeric adsorbents which have pores filled with hydroxides of sodium, potassium or lithium | ROHM AND HAAS COMPANY (US) | 1994-08-09 | — | — | US | disclosed |