⚠ 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 | |
|---|---|---|---|---|
| Cyanide SCHEMBL22130180 | 0.87 | SCN9A (0.33) | — | |
| Cyanide SCHEMBL22130058 | 0.80 | LMNA (0.45) | — | |
| Cyanide SCHEMBL22130063 | 0.79 | KDM4E (0.33) | — | |
| Cyanide SCHEMBL25404143 | 0.77 | CTSC (0.31) | — | |
| Cyanide SCHEMBL25407957 | 0.74 | KDM4E (0.43) | — | |
| Cyanide SCHEMBL22130173 | 0.74 | CNR2 (0.32) | — | |
| Cyanide SCHEMBL25403775 | 0.73 | HPD (0.33) | — | |
| SCHEMBL23926481 | 0.73 | NPC1 (0.37) | — | |
| Cyanide SCHEMBL25405838 | 0.72 | DDB1 (0.38) | — | |
| Cyanide SCHEMBL25405734 | 0.72 | ALDH1A1 (0.39) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230295095-A1 | NOVEL FUSED-HETEROCYCLYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS AND USE THEREOF | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2023-09-21 | — | — | US | claimed |
| EP-4169905-A1 | NOVEL FUSED HETEROCYCLIC CARBONOHYDRAZONOYL DICYANIDE COMPOUND AND USE THEREOF | Korea Institute of Science and Technology (KR) | 2023-04-26 | — | — | EP | claimed |
| US-20220396553-A1 | NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2022-12-15 | — | — | US | claimed |
| EP-3901139-A1 | NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF | Korea Institute of Science and Technology (KR) | 2021-10-27 | — | — | EP | claimed |
| WO-2020130214-A1 | NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF | 한국과학기술연구원 | 2020-06-25 | — | — | WO | claimed |
| US-20230295095-A1 | NOVEL FUSED-HETEROCYCLYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS AND USE THEREOF | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2023-09-21 | — | — | US | disclosed |
| EP-4169905-A1 | NOVEL FUSED HETEROCYCLIC CARBONOHYDRAZONOYL DICYANIDE COMPOUND AND USE THEREOF | Korea Institute of Science and Technology (KR) | 2023-04-26 | — | — | EP | disclosed |
| US-20220396553-A1 | NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2022-12-15 | — | — | US | disclosed |
| WO-2021256899-A1 | NOVEL FUSED HETEROCYCLIC CARBONOHYDRAZONOYL DICYANIDE COMPOUND AND USE THEREOF | 한국과학기술연구원 | 2021-12-23 | — | — | WO | disclosed |
| EP-3901139-A1 | NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF | Korea Institute of Science and Technology (KR) | 2021-10-27 | — | — | EP | disclosed |
| WO-2020130214-A1 | NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF | 한국과학기술연구원 | 2020-06-25 | — | — | WO | disclosed |