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 | |
|---|---|---|---|---|
| SCHEMBL700612 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL15770586 | 0.93 | — | — | |
| Bromide SCHEMBL15771029 | 0.93 | — | — | |
| Iodide SCHEMBL4049605 | 0.69 | CA1 (0.36) | — | |
| SCHEMBL393949 | 0.67 | ALDH1A1 (0.40) | — | |
| Iodide SCHEMBL27793088 | 0.67 | — | — | |
| Iodide SCHEMBL27771745 | 0.67 | — | — | |
| SCHEMBL1454329 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL7924149 | 0.65 | ALDH1A1 (0.38) | — | |
| Biphenyl SCHEMBL27497273 | 0.65 | ALDH1A1 (0.69) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170081347-A1 | FUNCTIONALIZED AZABORINE COMPOUNDS AND AZABORINE-CONTAINING BIARYLCARBOXAMIDES, AND COMPOSITIONS AND METHODS THEREOF | NATIONAL INSTITUTES OF HEALTH, U.S. DEPARTMENT OF HEALTH AND HUMAN SERVICES, U.S. GOVERNMENT | 2017-03-23 | — | — | US | disclosed |
| WO-2015160688-A1 | FUNCTIONALIZED AZABORINE COMPOUNDS AND AZABORINE-CONTAINING BIARYLCARBOXAMIDES, AND COMPOSITIONS AND METHODS THEREOF | THE TRUSTEES OF BOSTON COLLEGE (US) | 2015-10-22 | — | — | WO | disclosed |
| EP-1409463-B1 | N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION | BRISTOL MYERS SQUIBB CO (US) | 2010-02-24 | — | — | EP | disclosed |
| EP-1242385-B1 | CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS | PHARMACOPEIA INC (US) | 2009-11-25 | — | — | EP | disclosed |
| US-7479495-B2 | N-heterocyclic inhibitors of TNF-α expression | PHARMACOPEIA, INC. (US) | 2009-01-20 | — | — | US | disclosed |
| CN-101321763-A | Pyrazolo [1,5-a] pyrimidines as protein kinase inhibitors | SCHERING CORP (US) | 2008-12-10 | — | — | CN | disclosed |
| EP-1937677-A1 | CB-1 MODULATING COMPOUNDS AND THEIR USE | Arcadia Pharmaceuticals Inc. (US) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007047737-A1 | CB-1 MODULATING COMPOUNDS AND THEIR USE | ACADIA PHARMACEUTICALS INC. (US) | 2007-04-26 | — | — | WO | disclosed |
| US-20050239770-A1 | N-heterocyclic inhibitors of TNF-alpha expression | MORIARTY KEVIN J | 2005-10-27 | — | — | US | disclosed |
| CN-1671710-A | Pyrazolo[1,5a]pyrimidine compounds as antiviral agents | NEOGENESIS PHARMACEUTICALS INC (US) | 2005-09-21 | — | — | CN | disclosed |
| US-6906067-B2 | N-heterocyclic inhibitors of TNF-α expression | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-06-14 | — | — | US | disclosed |
| EP-1409463-A1 | N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION | Bristol-Myers Squibb Company (US) | 2004-04-21 | — | — | EP | disclosed |
| WO-2003002542-A1 | N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-01-09 | — | — | WO | disclosed |
| US-20020137747-A1 | N- heterocyclic inhibitors of TNF-alpha expression | PHARMACEOPEIA, INC. | 2002-09-26 | — | — | US | disclosed |
| EP-1242385-A1 | CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS | PHARMACOPEIA, INC. (US) | 2002-09-25 | — | — | EP | disclosed |
| US-20020065270-A1 | N-heterocyclic inhibitors of TNF-alpha expression | PHARMACOPEIA, INC. | 2002-05-30 | — | — | US | disclosed |
| WO-2001047897-A1 | CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS | PHARMACOPEIA, INC. (US) | 2001-07-05 | — | — | WO | disclosed |