⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL23211879 | 0.98 | — | — | |
| SCHEMBL29926488 | 0.90 | — | — | |
| SCHEMBL29927051 | 0.82 | KDM4E (0.30) | — | |
| SCHEMBL29926633 | 0.81 | — | — | |
| SCHEMBL21803829 | 0.72 | — | — | |
| SCHEMBL30084520 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL29661125 | 0.68 | — | — | |
| SCHEMBL21244343 | 0.68 | — | — | |
| SCHEMBL30084468 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL20972439 | 0.67 | — | — |
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-11472828-B2 | Indacene based metallocene catalysts useful in the production of propylene polymers | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2022-10-18 | — | — | US | disclosed |