⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8656970 | 0.92 | — | — | |
| SCHEMBL8042363 | 0.88 | — | — | |
| SCHEMBL8042351 | 0.81 | HTR1A (0.35) | — | |
| SCHEMBL8837108 | 0.80 | KDM1A (0.30) | — | |
| SCHEMBL8043456 | 0.80 | GAA (0.36) | — | |
| SCHEMBL8440759 | 0.77 | SPHK1 (0.31) | — | |
| SCHEMBL7757208 | 0.77 | SPHK1 (0.31) | — | |
| SCHEMBL7757203 | 0.77 | SPHK1 (0.31) | — | |
| SCHEMBL7757200 | 0.77 | SPHK1 (0.31) | — | |
| SCHEMBL7753074 | 0.76 | SPHK1 (0.34) | — |
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-5755995-A | DISAZO DYES, TRISAZO DYES AND ANTHRAQUINONE DYES WITH LIQUID CRYSTAL POLYMERS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1998-05-26 | — | — | US | disclosed |