Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Perchlorate. 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 | |
|---|---|---|---|---|
| Perchlorate SCHEMBL30389139 | 0.91 | — | — | |
| Perchlorate SCHEMBL269886 | 0.91 | — | — | |
| Perchlorate SCHEMBL31325319 | 0.83 | — | — | |
| Perchlorate SCHEMBL1826508 | 0.83 | — | — | |
| Perchlorate SCHEMBL5025959 | 0.83 | — | — | |
| Perchlorate SCHEMBL5471363 | 0.83 | — | — | |
| Perchlorate SCHEMBL9319992 | 0.83 | — | — | |
| Perchlorate SCHEMBL1141945 | 0.83 | — | — | |
| Perchlorate SCHEMBL9561452 | 0.77 | — | — | |
| Perchlorate SCHEMBL135770 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1029238-B1 | SAMPLING AND ANALYSIS OF REACTIONS BY TRAPPING REACTION COMPONENTS ON A SORBENT | SYMYX TECHNOLOGIES INC (US) | 2004-05-12 | — | — | EP | disclosed |
| US-6667009-B1 | Analysis apparatus comprising blocks having wells and adsorber layers on the surfaces for preferential screening of combinatorial chemistry libraries and transformations | SYMYX TECHNOLOGIES, INC. | 2003-12-23 | — | — | US | disclosed |
| EP-1287882-A2 | Method for screening a catalyst library | Symyx Technologies, Inc. (US) | 2003-03-05 | — | — | EP | disclosed |
| US-6410332-B1 | ANALYZING LIBRARY OF MIXTURES; OBTAIN SAMPLE FROM LIBRARY, INCUBATE WITH SORBENT, TRAP PORTION OF SAMPLE ON SORBENT, DETECTING COMPONENTS OF THE FLUID SAMPLE TRAPPED ON THE SORBENT | SYMYX TECHNOLOGIES, INC. | 2002-06-25 | — | — | US | disclosed |