Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL18796536 | 0.96 | — | — | |
| SCHEMBL2557952 | 0.76 | — | — | |
| SCHEMBL16694405 | 0.76 | TP53 (0.40) | — | |
| SCHEMBL29670216 | 0.74 | TP53 (0.39) | — | |
| Hydrochloric Acid SCHEMBL9938710 | 0.72 | KIF11 (0.40) | — | |
| Hydrochloric Acid SCHEMBL1603386 | 0.70 | CYP3A4 (0.41) | — | |
| SCHEMBL2550793 | 0.70 | ACHE (0.39) | — | |
| SCHEMBL30093072 | 0.69 | KIF11 (0.32) | — | |
| SCHEMBL287791 | 0.69 | CYP3A4 (0.38) | — | |
| SCHEMBL29670308 | 0.69 | ACHE (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170197944-A1 | PROCESS FOR THE PREPARATION OF LEDIPASVIR | Optimus Drugs, LLC (IN) | 2017-07-13 | — | — | US | claimed |
| WO-2017072596-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF LEDIPASVIR | OPTIMUS DRUGS (P) LTD (IN) | 2017-05-04 | — | — | WO | claimed |
| US-10118912-B2 | Process for the preparation of Ledipasvir | OPTIMUS DRUGS PRIVATE LTD. (IN) | 2018-11-06 | — | — | US | disclosed |
| US-20170197944-A1 | PROCESS FOR THE PREPARATION OF LEDIPASVIR | Optimus Drugs, LLC (IN) | 2017-07-13 | — | — | US | disclosed |
| WO-2017072596-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF LEDIPASVIR | OPTIMUS DRUGS (P) LTD (IN) | 2017-05-04 | — | — | WO | disclosed |