⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28414406 | 0.83 | — | — | |
| SCHEMBL28413790 | 0.72 | HDAC1 (0.31) | — | |
| SCHEMBL18408659 | 0.72 | — | — | |
| SCHEMBL3205147 | 0.71 | — | — | |
| SCHEMBL20140599 | 0.67 | — | — | |
| SCHEMBL7260859 | 0.62 | — | — | |
| SCHEMBL4136368 | 0.61 | — | — | |
| Lithium Ion SCHEMBL4299098 | 0.60 | — | — | |
| SCHEMBL10355942 | 0.59 | — | — | |
| SCHEMBL2809007 | 0.58 | TSHR (0.35) | — |
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-5557010-A | NUCLEOPHILIC ADDITION OF HALIDE TO HALOPERFLUOROPROPENE OXIDE WITH ALKALI METAL HALIDE | THE DOW CHEMICAL COMPANY (US) | 1996-09-17 | — | — | US | disclosed |