⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28296060 | 0.80 | HSD17B1 (0.41) | — | |
| Water SCHEMBL27669581 | 0.77 | — | — | |
| SCHEMBL27294646 | 0.77 | HTT (0.43) | — | |
| SCHEMBL28838693 | 0.75 | HSD17B10 (0.43) | — | |
| SCHEMBL28143850 | 0.72 | LOXL2 (0.45) | — | |
| SCHEMBL28668 | 0.72 | ALDH1A1 (0.54) | — | |
| SCHEMBL27362374 | 0.71 | KMT2A (0.40) | — | |
| SCHEMBL27863564 | 0.68 | KCNA5 (0.40) | — | |
| SCHEMBL27365582 | 0.68 | — | — | |
| SCHEMBL6317585 | 0.67 | CHKA (0.43) | — |
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-103827088-B | It is used as the derivative of the pyridyl alkyl alcohol of 1 phenyl 2 of phosphodiesterase inhibitors | 奇斯药制品公司 | 2017-10-13 | — | — | CN | disclosed |