⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28298 | 1.00 | — | — | |
| SCHEMBL21114388 | 1.00 | TSHR (0.57) | — | |
| SCHEMBL10141203 | 1.00 | — | — | |
| Phosphine SCHEMBL30485793 | 0.97 | — | — | |
| SCHEMBL17363100 | 0.97 | — | — | |
| Water SCHEMBL5567597 | 0.97 | — | — | |
| SCHEMBL27916020 | 0.97 | — | — | |
| SCHEMBL4325727 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1147719 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28091123 | 0.97 | TSHR (0.55) | — |
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-20120035246-A1 | SINGLE-STRANDED NUCLEIC ACID MOLECULE HAVING NITROGEN-CONTAINING ALICYCLIC SKELETON | BONAC CORPORATION (JP) | 2012-02-09 | — | — | US | disclosed |