⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12417886 | 0.83 | — | — | |
| SCHEMBL13400215 | 0.81 | CA2 (0.36) | — | |
| SCHEMBL12417892 | 0.78 | — | — | |
| SCHEMBL42359 | 0.77 | — | — | |
| SCHEMBL4922033 | 0.77 | — | — | |
| SCHEMBL11030516 | 0.74 | — | — | |
| SCHEMBL10865868 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28140997 | 0.74 | — | — | |
| SCHEMBL27569339 | 0.74 | — | — | |
| SCHEMBL27026953 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2434000-A2 | Ligand exchange thermochromic, (LETC), systems | Pleotint, L.L.C. (US) | 2012-03-28 | — | — | EP | disclosed |