⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20199042 | 0.80 | — | — | |
| SCHEMBL20203273 | 0.79 | — | — | |
| SCHEMBL20199044 | 0.77 | ALK (0.35) | — | |
| SCHEMBL20199114 | 0.71 | HDAC6 (0.33) | — | |
| SCHEMBL20199039 | 0.69 | PTGER4 (0.31) | — | |
| SCHEMBL23278289 | 0.69 | HDAC6 (0.36) | — | |
| SCHEMBL20199309 | 0.69 | HDAC6 (0.32) | — | |
| SCHEMBL21688338 | 0.68 | HDAC6 (0.41) | — | |
| SCHEMBL15183545 | 0.68 | HDAC6 (0.41) | — | |
| SCHEMBL25989514 | 0.67 | ALOX5 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10781366-B2 | Spiro compound and organic light-emitting device comprising same | LG CHEM, LTD. (KR) | 2020-09-22 | — | — | US | disclosed |
| US-20180148639-A1 | SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | LG CHEM, LTD. (KR) | 2018-05-31 | — | — | US | disclosed |