⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2961410 | 0.76 | — | — | |
| SCHEMBL9679319 | 0.75 | TSHR (0.48) | — | |
| SCHEMBL1100183 | 0.75 | TSHR (0.48) | — | |
| SCHEMBL19643118 | 0.75 | TSHR (0.48) | — | |
| SCHEMBL13616841 | 0.73 | TSHR (0.33) | — | |
| Barium SCHEMBL10787198 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL1508328 | 0.72 | — | — | |
| Magnesium SCHEMBL8460788 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL10789496 | 0.72 | TSHR (0.46) | — | |
| Potassium SCHEMBL10629925 | 0.72 | TSHR (0.46) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5098969-A | Coordination catalyst of silica, aluminia, boron and titanium compounds | QUANTUM CHEMICAL CORPORATION (US) | 1992-03-24 | — | — | US | disclosed |
| US-4950631-A | PROPYLENE POLYMERIZATION CATALYST | QUANTUM CHEMICAL CORPORATION (US) | 1990-08-21 | — | — | US | disclosed |