⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8866449 | 0.96 | TSHR (0.31) | — | |
| SCHEMBL3294664 | 0.87 | TSHR (0.34) | — | |
| SCHEMBL17746924 | 0.86 | ADRB2 (0.36) | — | |
| SCHEMBL1769786 | 0.81 | SMPD1 (0.32) | — | |
| SCHEMBL27607732 | 0.80 | TSHR (0.36) | — | |
| SCHEMBL7635050 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL253114 | 0.78 | TSHR (0.37) | — | |
| SCHEMBL351162 | 0.77 | ADRB2 (0.39) | — | |
| SCHEMBL9127516 | 0.77 | SPHK1 (0.31) | — | |
| SCHEMBL6381311 | 0.76 | DNM1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5631308-A | SELF-POLISHING METALLIZED COPOLYMER | KOREA CHEMICAL CO., LTD. (KR) | 1997-05-20 | — | — | US | disclosed |