⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4094792 | 0.73 | — | — | |
| SCHEMBL35024 | 0.69 | — | — | |
| SCHEMBL249501 | 0.67 | KDM4C (0.35) | — | |
| SCHEMBL27299135 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL29200121 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL27311325 | 0.66 | — | — | |
| Bromide SCHEMBL7666619 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL10764158 | 0.65 | — | — | |
| SCHEMBL14289041 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL27317115 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011097421-A1 | MULTIPLE SUBSTITUTED FLUOROMETHANES AS SELECTIVE AND BIOACTIVE ISOSTERES | MEH ASSOCIATES, INC (US) | 2011-08-11 | — | — | WO | disclosed |