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 | |
|---|---|---|---|---|
| SCHEMBL2878726 | 0.97 | — | — | |
| SCHEMBL11295249 | 0.94 | F2 (1.00) | — | |
| SCHEMBL11288384 | 0.94 | F2 (1.00) | — | |
| SCHEMBL11297533 | 0.94 | F2 (1.00) | — | |
| SCHEMBL11295735 | 0.94 | F2 (1.00) | — | |
| SCHEMBL821192 | 0.94 | F2 (1.00) | — | |
| SCHEMBL8281615 | 0.94 | F2 (1.00) | — | |
| SCHEMBL1228214 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL3192296 | 0.94 | — | — | |
| SCHEMBL11293968 | 0.94 | F2 (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3623368-A1 | CLASS A GPCR-BINDING COMPOUND MODIFIER | RIKEN (JP) | 2020-03-18 | — | — | EP | disclosed |
| US-10414759-B2 | Phenylthiazoles and uses thereof | PURDUE RESEARCH FOUNDATION (US) | 2019-09-17 | — | — | US | disclosed |
| US-10285989-B2 | Pyrimidinone amide compounds as PDE2 inhibitors | MERCK SHARP & DOHME CORP. (US) | 2019-05-14 | — | — | US | disclosed |
| US-20180319784-A1 | PHENYLTHIAZOLES AND USES THEREOF | PURDUE RESEARCH FOUNDATION (US) | 2018-11-08 | — | — | US | disclosed |
| US-20180256575-A1 | PYRIMIDINONE AMIDE COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-09-13 | — | — | US | disclosed |
| EP-3294297-A1 | PYRIMIDINONE AMIDE COMPOUNDS AS PDE2 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2018-03-21 | — | — | EP | disclosed |
| WO-2016186888-A1 | PYRIMIDINONE AMIDE COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-11-24 | — | — | WO | disclosed |
| EP-2516397-B1 | Amino-heteroaryl derivatives as HCN blockers | MERCK SHARP & DOHME (NL) | 2016-07-13 | — | — | EP | disclosed |
| US-8952001-B2 | Amino-heteroaryl derivatives as HCN blockers | MERCK SHARP & DOHME CORP. (US) | 2015-02-10 | — | — | US | disclosed |
| EP-2516397-A1 | AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS | MSD Oss B.V. (NL) | 2012-10-31 | — | — | EP | disclosed |
| US-20120264728-A1 | AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS | ORGANON BIOSCIENCES NEDERLAND B.V. (NL) | 2012-10-18 | — | — | US | disclosed |
| WO-2011076723-A1 | AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS | N.V. ORGANON (NL) | 2011-06-30 | — | — | WO | disclosed |
| EP-0018134-B1 | DIHYDROPYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BEECHAM GROUP PLC (GB) | 1984-03-14 | — | — | EP | disclosed |