⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24253100 | 0.76 | — | — | |
| SCHEMBL5203442 | 0.75 | — | — | |
| SCHEMBL466751 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL22771609 | 0.73 | — | — | |
| SCHEMBL20653081 | 0.73 | — | — | |
| SCHEMBL15838653 | 0.73 | — | — | |
| SCHEMBL20825035 | 0.73 | — | — | |
| SCHEMBL1453453 | 0.73 | — | — | |
| SCHEMBL19454615 | 0.73 | — | — | |
| SCHEMBL20925834 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200062776-A1 | HEDGEHOG ACYLTRANSFERASE INHIBITORS AND USES THEREOF | MEMORIAL SLOAN-KETTERING CANCER CENTER (US) | 2020-02-27 | — | — | US | disclosed |