⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11651921 | 1.00 | — | — | |
| SCHEMBL19194391 | 0.92 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL27948543 | 0.91 | TDP1 (0.35) | — | |
| SCHEMBL15264553 | 0.89 | TSHR (0.37) | — | |
| SCHEMBL14507310 | 0.89 | TSHR (0.37) | — | |
| SCHEMBL332590 | 0.83 | — | — | |
| SCHEMBL21904372 | 0.83 | — | — | |
| SCHEMBL332589 | 0.83 | — | — | |
| SCHEMBL9512026 | 0.82 | — | — | |
| SCHEMBL221623 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020058460-A1 | HIGH-TEMPERATURE-UP-RESINS (HT-UP RESIN) BASED ON CYCLIC AND NON-CYCLIC RAW MATERIALS (HT-UP) | ERFINDERGEMEINSCHAFT LORENZ + GRAHNEIS GBR (DE) | 2020-03-26 | — | — | WO | claimed |