Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18349365 | 0.98 | — | — | |
| SCHEMBL19888480 | 0.82 | NOS3 (0.38) | — | |
| SCHEMBL18338530 | 0.67 | CYP2D6 (0.46) | — | |
| SCHEMBL27038939 | 0.64 | NISCH (0.45) | — | |
| SCHEMBL20360509 | 0.63 | — | — | |
| SCHEMBL6575534 | 0.61 | ESR1 (0.39) | — | |
| SCHEMBL27038857 | 0.58 | NOS3 (0.34) | — | |
| SCHEMBL3430484 | 0.55 | NPC1 (0.35) | — | |
| SCHEMBL21120534 | 0.55 | — | — | |
| SCHEMBL7290876 | 0.54 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340592-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2022-10-27 | — | — | US | disclosed |
| US-11352369-B2 | Pyridine and pyrimidine derivatives | ASTRAZENECA AB (SE) | 2022-06-07 | — | — | US | disclosed |
| EP-3539961-B1 | POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS | ASTRAZENECA AB (SE) | 2021-10-06 | — | — | EP | disclosed |
| US-20210171541-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2021-06-10 | — | — | US | disclosed |
| CN-107873028-B | Polycyclic amide derivatives useful as CDK9 inhibitors | 阿斯利康(瑞典)有限公司 | 2021-02-02 | — | — | CN | disclosed |
| US-10717746-B2 | Chemical compounds | ASTRAZENECA AB (SE) | 2020-07-21 | — | — | US | disclosed |
| EP-3539961-A1 | POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS | Astrazeneca AB (SE) | 2019-09-18 | — | — | EP | disclosed |
| EP-3313838-B1 | POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS | ASTRAZENECA AB (SE) | 2019-04-03 | — | — | EP | disclosed |
| EP-3313838-A1 | POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS | Astrazeneca AB (SE) | 2018-05-02 | — | — | EP | disclosed |
| US-20180093998-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA PHARMACEUTICALS LP | 2018-04-05 | — | — | US | disclosed |
| US-9845331-B2 | Chemical compounds | ASTRAZENECA AB (SE) | 2017-12-19 | — | — | US | disclosed |
| WO-2017001354-A1 | POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS | ASTRAZENECA AB (SE) | 2017-01-05 | — | — | WO | disclosed |
| US-20160376287-A1 | Chemical Compounds | ASTRAZENECA AB (SE) | 2016-12-29 | — | — | US | disclosed |