⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2873173 | 0.81 | NPC1 (0.39) | — | |
| SCHEMBL27838289 | 0.78 | NPC1 (0.38) | — | |
| SCHEMBL6471241 | 0.75 | — | — | |
| SCHEMBL5008825 | 0.72 | — | — | |
| SCHEMBL20994439 | 0.71 | NPC1 (0.31) | — | |
| SCHEMBL23780936 | 0.71 | — | — | |
| SCHEMBL2803477 | 0.71 | — | — | |
| SCHEMBL540390 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL29556735 | 0.70 | CYP1A2 (0.38) | — | |
| SCHEMBL6471558 | 0.70 | CYP1A2 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210317238-A1 | Bis(Metallocene) Compounds and Catalyst Compositions Employing Such Compounds | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2021-10-14 | — | — | US | disclosed |
| US-20210284767-A1 | Process for Preparing Polyethylene | TOTAL RESEARCH & TECHNOLOGY FELUY (BE) | 2021-09-16 | — | — | US | disclosed |
| US-20210277155-A1 | Process for Preparing Polypropylene | TOTAL RESEARCH & TECHNOLOGY FELUY (BE) | 2021-09-09 | — | — | US | disclosed |