⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1071553 | 0.95 | LMNA (0.31) | — | |
| Hydrochloric Acid SCHEMBL11389158 | 0.91 | — | — | |
| Water SCHEMBL2824897 | 0.91 | — | — | |
| Bromide SCHEMBL5150073 | 0.91 | — | — | |
| SCHEMBL1074582 | 0.81 | — | — | |
| SCHEMBL3310909 | 0.81 | TSHR (0.40) | — | |
| SCHEMBL3308158 | 0.81 | TSHR (0.40) | — | |
| SCHEMBL3308004 | 0.78 | — | — | |
| SCHEMBL385569 | 0.78 | — | — | |
| SCHEMBL4231002 | 0.78 | TSHR (0.44) | — |
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-20080210900-A1 | Selective Wet Etchings Of Oxides | PNC BANK, NATIONAL ASSOCIATION | 2008-09-04 | — | — | US | disclosed |