⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4250574 | 0.79 | ALDH1A1 (0.44) | — | |
| SCHEMBL19953076 | 0.79 | AHR (0.50) | — | |
| SCHEMBL57470 | 0.77 | — | — | |
| SCHEMBL17514738 | 0.77 | CYP1A1 (0.50) | — | |
| SCHEMBL17514982 | 0.74 | — | — | |
| SCHEMBL28771110 | 0.74 | CA12 (0.35) | — | |
| SCHEMBL1710681 | 0.73 | TTR (0.41) | — | |
| SCHEMBL2232172 | 0.72 | — | — | |
| SCHEMBL16414697 | 0.72 | — | — | |
| SCHEMBL145942 | 0.72 | — | — |
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-8302001-A | — | — | None | — | — | JP | disclosed |
| JP-H08302001-A | NEW LINEAR POLYESTER HAVING LIQUID CRYSTAL PROPERTY | HONSHU CHEM IND CO LTD | 1996-11-19 | — | — | JP | disclosed |