Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
The experimentally established mechanism targets of Benzoic Acid. 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 | |
|---|---|---|---|---|
| SCHEMBL15911370 | 0.92 | — | — | |
| Benzoic Acid SCHEMBL8365322 | 0.85 | — | — | |
| SCHEMBL5278917 | 0.80 | — | — | |
| SCHEMBL5420235 | 0.78 | — | — | |
| SCHEMBL4328034 | 0.77 | — | — | |
| SCHEMBL5424228 | 0.75 | — | — | |
| SCHEMBL5426008 | 0.74 | — | — | |
| SCHEMBL9133345 | 0.72 | GPR4 (0.53) | — | |
| SCHEMBL5420463 | 0.72 | — | — | |
| SCHEMBL14409680 | 0.72 | — | — |
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 148 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1389105-A4 | METHOD OF TREATMENT | MERCK & CO INC (US) | 2005-08-17 | — | — | EP | claimed |
| EP-1389105-A1 | METHOD OF TREATMENT | Merck & Co., Inc. (US) | 2004-02-18 | — | — | EP | claimed |
| US-20030073705-A1 | Method of treatment | SHAHINFAR SHAHNAZ (US) | 2003-04-17 | — | — | US | claimed |
| WO-2002092081-A1 | METHOD OF TREATMENT | MERCK & CO., INC. (US) | 2002-11-21 | — | — | WO | claimed |
| US-6300356-B1 | ADMINISTERING TO A PATIENT IN NEED OF SUCH TREATMENT A THERAPEUTICALLY EFFECTIVE AMOUNT OF AN ANGIOTENSIN II RECEPTOR ANTAGONIST | MERCK & CO., INC. | 2001-10-09 | — | — | US | claimed |
| US-6201002-B1 | ADMINISTERING IMIDAZOLE DERIVATIVE TO TREAT CONGESTIVE HEART FAILURE AND CARDIOVASCULAR DISORDERS | MERCK & CO., INC. | 2001-03-13 | — | — | US | claimed |
| EP-3004138-B1 | ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME | BAUSCH HEALTH IRELAND LTD (IE) | 2024-03-13 | — | — | EP | disclosed |
| US-20240002440-A1 | AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS, INFLAMMATION, CANCER AND OTHER DISORDERS | JPMORGAN CHASE BANK, N.A. | 2024-01-04 | — | — | US | disclosed |
| US-11834521-B2 | Ultra-pure agonists of guanylate cyclase C, method of making and using same | BAUSCH HEALTH IRELAND LIMITED (IE) | 2023-12-05 | — | — | US | disclosed |
| EP-3708179-B1 | FORMULATIONS OF GUANYLATE CYCLASE C AGONISTS AND METHODS OF USE | BAUSCH HEALTH IRELAND LTD (IE) | 2023-10-04 | — | — | EP | disclosed |
| US-11319346-B2 | Ultra-pure agonists of guanylate cyclase C, method of making and using same | BAUSCH HEALTH IRELAND LIMITED (IE) | 2022-05-03 | — | — | US | disclosed |
| US-20220119449-A1 | ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME | BAUSCH HEALTH IRELAND LIMITED (IE) | 2022-04-21 | — | — | US | disclosed |
| US-20210403508-A1 | ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME | JPMORGAN CHASE BANK, N.A. | 2021-12-30 | — | — | US | disclosed |
| WO-2004110368-A2 | COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION | MERCK & CO., INC. (US) | 2004-12-23 | — | — | WO | disclosed |
| US-20040116510-A1 | Antihypertensive agent and cholesterol absorption inhibitor combination therapy | NICHTBERGER STEVEN A (US) | 2004-06-17 | — | — | US | disclosed |
| EP-1389114-A2 | ANTIHYPERTENSIVE AGENT AND CHOLESTEROL ABSORPTION INHIBITOR COMBINATION THERAPY | Merck & Co., Inc. (US) | 2004-02-18 | — | — | EP | disclosed |
| EP-1389105-A1 | METHOD OF TREATMENT | Merck & Co., Inc. (US) | 2004-02-18 | — | — | EP | disclosed |
| US-20030073705-A1 | Method of treatment | SHAHINFAR SHAHNAZ (US) | 2003-04-17 | — | — | US | disclosed |
| WO-2002092081-A1 | METHOD OF TREATMENT | MERCK & CO., INC. (US) | 2002-11-21 | — | — | WO | disclosed |
| WO-2002072104-A2 | ANTIHYPERTENSIVE AGENT AND CHOLESTEROL ABSORPTION INHIBITOR COMBINATION THERAPY | MERCK & CO., INC. (US) | 2002-09-19 | — | — | WO | disclosed |