⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19863028 | 0.94 | — | — | |
| SCHEMBL19863026 | 0.92 | TSHR (0.30) | — | |
| SCHEMBL19863062 | 0.91 | TSHR (0.32) | — | |
| SCHEMBL19863023 | 0.89 | MAPT (0.32) | — | |
| SCHEMBL18594133 | 0.89 | TSHR (0.31) | — | |
| SCHEMBL18594168 | 0.86 | — | — | |
| SCHEMBL19863027 | 0.86 | TSHR (0.30) | — | |
| SCHEMBL18594315 | 0.85 | ALOX5 (0.30) | — | |
| SCHEMBL19863063 | 0.85 | TSHR (0.32) | — | |
| SCHEMBL18594190 | 0.84 | — | — |
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-10230056-B2 | Heterocyclic compound and organic light emitting element comprising same | LG CHEM, LTD. (KR) | 2019-03-12 | — | — | US | disclosed |
| US-20180047914-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME | LG CHEM, LTD. (KR) | 2018-02-15 | — | — | US | disclosed |
| US-20180047914-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME | LG CHEM, LTD. (KR) | 2018-02-15 | — | — | US | disclosed |