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 | |
|---|---|---|---|---|
| SCHEMBL3251507 | 0.97 | — | — | |
| Bromide SCHEMBL6965208 | 0.95 | — | — | |
| Iodide SCHEMBL6976539 | 0.86 | — | — | |
| SCHEMBL6967816 | 0.83 | — | — | |
| SCHEMBL95257 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL5692903 | 0.70 | — | — | |
| SCHEMBL14062535 | 0.68 | — | — | |
| SCHEMBL9651007 | 0.68 | — | — | |
| SCHEMBL5621877 | 0.67 | — | — | |
| SCHEMBL5330969 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0944603-B1 | PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES | PROCTER & GAMBLE (US) | 2003-02-19 | — | — | EP | disclosed |
| US-20020035092-A1 | Inhibit binding of alpha-v integrins to their ligands, use in treatment of immune and inflammatory disorders; 3-(4-(2-Aminoethyl)benzamide)-3-(2-(4-(2-pyridylamino)methyl) phenoxy)-4-pyrimidinyl)propanoic acid | CELLTECH THERAPEUTICS LIMITED | 2002-03-21 | — | — | US | disclosed |
| US-6319922-B1 | ALPHA-PYRIMIDYL-SUBSTITUTED; USEFUL FOR TREATING DISEASES INCLUDING INFLAMMATORY DISEASES, AND DISEASES INVOLVING ANGIOGENESIS, BONE RESORPTION OR CELLULAR OR MATRIX OVER-EXPANSION. | CELLTECH THERAPEUTICS LIMITED (GB) | 2001-11-20 | — | — | US | disclosed |
| EP-1133488-A1 | PROPANOIC ACID DERIVATIVES AS INTEGRIN INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 2001-09-19 | — | — | EP | disclosed |
| WO-2000031067-A1 | PROPANOIC ACID DERIVATIVES AS INTEGRIN INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-06-02 | — | — | WO | disclosed |
| US-6066740-A | Process for making 2-amino-2-imidazoline, guanidine and 2-amino-3,4,5,6-tetrahydropyrimidine derivatives | THE PROCTER & GAMBLE COMPANY (US) | 2000-05-23 | — | — | US | disclosed |
| EP-0944603-A1 | PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES | THE PROCTER & GAMBLE COMPANY (US) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998023595-A1 | PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES | THE PROCTER & GAMBLE COMPANY (US) | 1998-06-04 | — | — | WO | disclosed |
| US-4861789-A | Dihydro-indene-amine-dihydrooxazoles | BEECHAM GROUP PLC (GB) | 1989-08-29 | — | — | US | disclosed |
| EP-0309422-A2 | New amidino tricycle derivatives | ISTITUTO DE ANGELI S.p.A. (IT) | 1989-03-29 | — | — | EP | disclosed |
| EP-0251453-A2 | Substituted amino-dihydrooxazoles, -thiazoles and -imidazoles, process for their preparation and pharmaceutical compositions containing them | BEECHAM GROUP PLC (GB) | 1988-01-07 | — | — | EP | disclosed |