⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30114883 | 1.00 | — | — | |
| SCHEMBL21799054 | 0.95 | — | — | |
| SCHEMBL30114854 | 0.94 | — | — | |
| SCHEMBL20188144 | 0.94 | — | — | |
| SCHEMBL30114765 | 0.86 | TRPV1 (0.55) | — | |
| SCHEMBL21799090 | 0.86 | TRPV1 (0.55) | — | |
| SCHEMBL20187976 | 0.83 | AURKA (0.45) | — | |
| SCHEMBL30114850 | 0.83 | AURKA (0.45) | — | |
| SCHEMBL21799086 | 0.83 | AURKA (0.49) | — | |
| SCHEMBL21799119 | 0.83 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10793542-B2 | Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof | DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) | 2020-10-06 | — | — | US | claimed |
| US-20200079753-A1 | HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF | DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) | 2020-03-12 | — | — | US | claimed |
| US-10793542-B2 | Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof | DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) | 2020-10-06 | — | — | US | disclosed |
| US-10793542-B2 | Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof | DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) | 2020-10-06 | — | — | US | disclosed |
| US-20200079753-A1 | HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF | DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) | 2020-03-12 | — | — | US | disclosed |