⚠ 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 | |
|---|---|---|---|---|
| Pentane SCHEMBL14334798 | 0.85 | — | — | |
| Butane SCHEMBL9754798 | 0.83 | FFAR3 (0.47) | — | |
| Acetone SCHEMBL4275798 | 0.82 | — | — | |
| Butane SCHEMBL27697355 | 0.82 | — | — | |
| SCHEMBL8947 | 0.82 | — | — | |
| Butane SCHEMBL9415810 | 0.80 | — | — | |
| Acetic Acid SCHEMBL6290880 | 0.78 | FFAR3 (0.64) | — | |
| Acetic Acid SCHEMBL10590923 | 0.78 | FFAR3 (0.64) | — | |
| Acetic Acid SCHEMBL6113 | 0.78 | — | — | |
| Acetic Acid SCHEMBL6517807 | 0.78 | FFAR3 (0.64) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109956924-B9 | Heterocyclic compound and organic light emitting device including the same | 株式会社LG化学 | 2021-10-01 | — | — | CN | disclosed |
| CN-109956924-B | Heterocyclic compound and organic light emitting device including the same | 株式会社LG化学 | 2021-08-20 | — | — | CN | disclosed |
| EP-3369731-B1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2020-02-19 | — | — | EP | disclosed |
| EP-3369731-A2 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME | LG Chem, Ltd. (KR) | 2018-09-05 | — | — | EP | disclosed |
| US-20180086775-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME | LG CHEM, LTD. (KR) | 2018-03-29 | — | — | US | disclosed |