⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6003572 | 0.80 | MAOA (0.37) | — | |
| SCHEMBL486510 | 0.75 | NR1H2 (0.43) | — | |
| SCHEMBL7960565 | 0.69 | MAOA (0.32) | — | |
| SCHEMBL3919950 | 0.68 | NR1H2 (0.42) | — | |
| SCHEMBL19600567 | 0.64 | TAAR1 (0.47) | — | |
| SCHEMBL896776 | 0.61 | — | — | |
| SCHEMBL19039716 | 0.61 | NFKB1 (0.40) | — | |
| SCHEMBL21748449 | 0.61 | NFKB1 (0.40) | — | |
| SCHEMBL199775 | 0.61 | NFKB1 (0.40) | — | |
| SCHEMBL10611414 | 0.61 | MAOA (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-10168189-A | — | — | None | — | — | JP | disclosed |
| JP-H10168189-A | ORIENTATING AGENT FOR LIQUID CRYSTAL | SUMITOMO BAKELITE CO LTD | 1998-06-23 | — | — | JP | disclosed |