⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20174562 | 0.85 | S1PR4 (0.31) | — | |
| SCHEMBL20174684 | 0.80 | NPSR1 (0.31) | — | |
| SCHEMBL20174731 | 0.77 | NQO1 (0.31) | — | |
| SCHEMBL20174309 | 0.75 | NTRK1 (0.31) | — | |
| SCHEMBL20174679 | 0.74 | KDM4E (0.31) | — | |
| SCHEMBL20199283 | 0.73 | — | — | |
| SCHEMBL20179309 | 0.72 | — | — | |
| SCHEMBL22326584 | 0.72 | S1PR5 (0.36) | — | |
| SCHEMBL20174740 | 0.71 | GPR3 (0.40) | — | |
| SCHEMBL20174617 | 0.71 | CYP1A1 (0.37) | — |
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-10738034-B2 | Spiro compound and organic light-emitting device comprising same | LG CHEM, LTD. (KR) | 2020-08-11 | — | — | US | disclosed |
| US-20180141933-A1 | SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | LG CHEM, LTD. (KR) | 2018-05-24 | — | — | US | disclosed |
| US-20180141933-A1 | SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | LG CHEM, LTD. (KR) | 2018-05-24 | — | — | US | disclosed |