⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29926930 | 0.90 | — | — | |
| SCHEMBL1242110 | 0.83 | HTR2A (0.34) | — | |
| SCHEMBL6473076 | 0.83 | HTR2A (0.34) | — | |
| SCHEMBL29702331 | 0.83 | HTR2A (0.34) | — | |
| SCHEMBL29927051 | 0.81 | KDM4E (0.30) | — | |
| Hydrochloric Acid SCHEMBL2135928 | 0.81 | HTR2A (0.33) | — | |
| Hydrochloric Acid SCHEMBL9069305 | 0.81 | HTR2A (0.33) | — | |
| SCHEMBL29926633 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL29927184 | 0.73 | — | — | |
| SCHEMBL6917029 | 0.72 | HTR6 (0.33) | — |
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 |