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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6666626 | 0.92 | — | — | |
| SCHEMBL4950916 | 0.92 | — | — | |
| SCHEMBL26371 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL17152673 | 0.85 | — | — | |
| Bromide SCHEMBL6666625 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL7772637 | 0.85 | — | — | |
| SCHEMBL20448981 | 0.79 | — | — | |
| SCHEMBL170348 | 0.77 | — | — | |
| SCHEMBL10988421 | 0.76 | — | — | |
| SCHEMBL10988424 | 0.76 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108947855-B | Synthesis method of efavirenz key intermediate | 江苏沙星化工有限公司 | 2021-10-22 | — | — | CN | claimed |
| CN-108947855-B | Synthesis method of efavirenz key intermediate | 江苏沙星化工有限公司 | 2021-10-22 | — | — | CN | disclosed |
| CN-108947855-B | Synthesis method of efavirenz key intermediate | 江苏沙星化工有限公司 | 2021-10-22 | — | — | CN | disclosed |
| CN-111548317-A | Efavirenz synthesis method and method for preparing intermediate thereof | 苏州纪元康生物科技有限公司 | 2020-08-18 | — | — | CN | disclosed |
| EP-1131303-A1 | CRYSTALLINE (-)-6- CHLORO-4- CYCLOPROPYLETHYNYL- 4-TRIFLUOROMETHYL- 3,4-DIHYDRO- 2(1H)-QUINAZOLINONE | Du Pont Pharmaceuticals Company (US) | 2001-09-12 | — | — | EP | disclosed |
| US-6225317-B1 | REVERSE TRANSCRIPTASE INHIBITOR | DUPONT PHARMACEUTICALS COMPANY | 2001-05-01 | — | — | US | disclosed |
| CN-1276781-A | Process for enhancing optical purity of 2R-[1-hydroxy-1-trifluoromethyl-3-cyclopropylpropyn-2-yl]-4-chloroaniline | MERCK & CO INC (US) | 2000-12-13 | — | — | CN | disclosed |
| WO-2000029390-A1 | CRYSTALLINE (-)-6- CHLORO-4- CYCLOPROPYLETHYNYL- 4-TRIFLUOROMETHYL- 3,4-DIHYDRO- 2(1H)-QUINAZOLINONE | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-05-25 | — | — | WO | disclosed |