⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL336284 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL14660691 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL1508559 | 0.94 | — | — | |
| SCHEMBL4716696 | 0.86 | — | — | |
| SCHEMBL451665 | 0.86 | HIF1A (0.33) | — | |
| SCHEMBL700790 | 0.86 | SOS1 (0.33) | — | |
| SCHEMBL16877906 | 0.86 | HIF1A (0.33) | — | |
| SCHEMBL18403397 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL4827298 | 0.83 | HIF1A (0.32) | — | |
| Hydrochloric Acid SCHEMBL14938863 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020235945-A1 | N-CONTAINING HETEROARYL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER | 주식회사 보로노이 (KR) | 2020-11-26 | — | — | WO | claimed |