Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Isopropyl Alcohol. 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL5930753 | 0.92 | ALDH1A1 (0.46) | — | |
| Isopropyl Alcohol SCHEMBL333531 | 0.92 | — | — | |
| Isopropyl Alcohol SCHEMBL367599 | 0.92 | — | — | |
| Isopropyl Alcohol SCHEMBL3840021 | 0.88 | — | — | |
| Isopropyl Alcohol SCHEMBL28259581 | 0.88 | — | — | |
| Isopropyl Alcohol SCHEMBL1980641 | 0.88 | ALDH1A1 (0.50) | — | |
| Isopropyl Alcohol SCHEMBL3892643 | 0.88 | — | — | |
| Isopropyl Alcohol SCHEMBL28258482 | 0.83 | — | — | |
| Benzene SCHEMBL10385913 | 0.81 | LMNA (0.43) | — | |
| Isopropyl Alcohol SCHEMBL10462689 | 0.81 | ALDH1A1 (0.43) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1203002-B1 | PROCESS FOR PREPARING A CHARCOAL-GM1 COMPLEX | TRB PHARMA IND QUIMICA E FARMA (BR) | 2003-05-28 | — | — | EP | disclosed |