⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16167359 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL28041235 | 0.69 | — | — | |
| SCHEMBL27949718 | 0.68 | CA5A (0.58) | — | |
| Hydrochloric Acid SCHEMBL28948699 | 0.67 | FFAR1 (0.36) | — | |
| SCHEMBL28805659 | 0.67 | HSP90AB1 (0.54) | — | |
| Hydrochloric Acid SCHEMBL28027474 | 0.65 | ALOX5 (0.36) | — | |
| SCHEMBL28381822 | 0.63 | KDM4E (0.33) | — | |
| SCHEMBL27644462 | 0.63 | KDM4E (0.48) | — | |
| SCHEMBL28017658 | 0.61 | SLC22A6 (0.33) | — | |
| SCHEMBL28018087 | 0.60 | LMNA (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105102458-A | Dihydropyrido pyrimidine compounds as autotaxin inhibitors | LILLY CO ELI | 2015-11-25 | — | — | CN | disclosed |