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 | |
|---|---|---|---|---|
| SCHEMBL27726148 | 0.79 | — | — | |
| Benzoic Acid SCHEMBL1759391 | 0.71 | — | — | |
| Terephthalic Acid SCHEMBL9621388 | 0.68 | TSHR (0.41) | — | |
| SCHEMBL514534 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL514533 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL27726139 | 0.63 | CPT1B (0.35) | — | |
| SCHEMBL15330778 | 0.61 | TP53 (0.30) | — | |
| SCHEMBL3412825 | 0.61 | TP53 (0.30) | — | |
| SCHEMBL27209675 | 0.59 | TSHR (0.33) | — | |
| SCHEMBL10976801 | 0.57 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107428941-B | Amidino group-containing catalyst | SIKA技术股份公司 | 2020-11-24 | — | — | CN | disclosed |
| CN-107735438-B | Guanidino-containing catalysts | SIKA技术股份公司 | 2020-06-09 | — | — | CN | disclosed |
| US-10414875-B2 | Catalyst containing guanidine groups | SIKA TECHNOLOGY AG (CH) | 2019-09-17 | — | — | US | disclosed |
| US-10392480-B2 | Catalyst containing amidine groups | SIKA TECHNOLOGY AG (CH) | 2019-08-27 | — | — | US | disclosed |
| US-20180171082-A1 | CATALYST CONTAINING AMIDINE GROUPS | SIKA TECHNOLOGY AG (CH) | 2018-06-21 | — | — | US | disclosed |
| US-20180148545-A1 | CATALYST CONTAINING GUANIDINE GROUPS | SIKA TECHNOLOGY AG (CH) | 2018-05-31 | — | — | US | disclosed |