⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15257980 | 0.92 | IDO1 (0.30) | — | |
| SCHEMBL10020130 | 0.88 | FAAH (0.32) | — | |
| SCHEMBL10020176 | 0.88 | IDO1 (0.30) | — | |
| SCHEMBL10020182 | 0.85 | CTSL (0.32) | — | |
| SCHEMBL10020126 | 0.83 | S1PR1 (0.33) | — | |
| SCHEMBL15257984 | 0.82 | FAAH (0.33) | — | |
| SCHEMBL15257975 | 0.81 | CTSL (0.33) | — | |
| SCHEMBL10020097 | 0.80 | FFAR1 (0.32) | — | |
| SCHEMBL15257979 | 0.80 | IDO1 (0.31) | — | |
| SCHEMBL19622039 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012086437-A1 | COMPOUND CONTAINING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY | JNC株式会社 (JP) | 2012-06-28 | — | — | WO | disclosed |