⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16187035 | 0.91 | — | — | |
| SCHEMBL27257 | 0.91 | — | — | |
| SCHEMBL27906098 | 0.83 | — | — | |
| SCHEMBL28807216 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL102568 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL9929740 | 0.83 | — | — | |
| SCHEMBL8935213 | 0.83 | — | — | |
| Methoxymethane SCHEMBL7257640 | 0.73 | — | — | |
| Cyclohexane SCHEMBL134521 | 0.72 | — | — | |
| SCHEMBL4864365 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111670034-A | Pyranopyrazoles and pyrazolopyridines immunomodulators for the treatment of autoimmune diseases | 洛克菲勒大学 | 2020-09-15 | — | — | CN | disclosed |
| CN-105592888-A | Kdm1a inhibitors for the treatment of disease | IMAGO BIOSCIENCES INC | 2016-05-18 | — | — | CN | disclosed |