⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL295787 | 0.81 | MEN1 (0.31) | — | |
| SCHEMBL7949299 | 0.75 | MEN1 (0.37) | — | |
| SCHEMBL1702054 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL111130 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL13191085 | 0.74 | — | — | |
| SCHEMBL4890289 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL4882185 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL107471 | 0.72 | TSHR (0.42) | — | |
| SCHEMBL6758018 | 0.72 | MEN1 (0.36) | — | |
| SCHEMBL631520 | 0.72 | MEN1 (0.36) | — |
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-20080293880-A1 | Liquid, Thermally Curable Mixtures, Their Preparation and Use | BASF COATINGS AG (DE) | 2008-11-27 | — | — | US | claimed |