⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21908559 | 0.86 | — | — | |
| SCHEMBL385559 | 0.83 | TSHR (0.40) | — | |
| SCHEMBL3038482 | 0.83 | LMNA (0.48) | — | |
| SCHEMBL3038369 | 0.83 | TSHR (0.31) | — | |
| SCHEMBL3389429 | 0.81 | ALOX15 (0.40) | — | |
| SCHEMBL3389432 | 0.81 | ALOX15 (0.44) | — | |
| SCHEMBL3024990 | 0.81 | TSHR (0.39) | — | |
| SCHEMBL5441114 | 0.81 | LMNA (0.31) | — | |
| SCHEMBL3040396 | 0.81 | LMNA (0.31) | — | |
| Hydrochloric Acid SCHEMBL29133121 | 0.81 | TSHR (0.39) | — |
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-10633464-B2 | Non-phthalate catalyst system and its use in the polymerization of olefins | BRASKEM AMERICA, INC. (US) | 2020-04-28 | — | — | US | disclosed |