⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL32680313 | 0.80 | TDP1 (0.32) | — | |
| SCHEMBL27746607 | 0.75 | ALOX15 (0.31) | — | |
| SCHEMBL29963438 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL4706953 | 0.72 | MEN1 (0.33) | — | |
| SCHEMBL1973238 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL7135641 | 0.65 | MEN1 (0.33) | — | |
| SCHEMBL10447893 | 0.65 | CYP2D6 (0.41) | — | |
| SCHEMBL20081667 | 0.65 | — | — | |
| SCHEMBL28714306 | 0.64 | DGAT1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL16668584 | 0.63 | KDM4E (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-57053466-A | — | — | None | — | — | JP | disclosed |
| JP-S5753466-A | 2-SUBSTITUTED IMIDAZOLE COMPOUND | DAI ICHI SEIYAKU CO LTD | 1982-03-30 | — | — | JP | disclosed |