Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Isobutyraldehyde. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| Isobutyraldehyde SCHEMBL2635854 | 0.95 | ADH1B (0.38) | — | |
| Isobutyraldehyde SCHEMBL18287436 | 0.95 | — | — | |
| Isobutyraldehyde SCHEMBL2996 | 0.95 | — | — | |
| Isobutyraldehyde SCHEMBL788159 | 0.95 | ADH1B (0.38) | — | |
| Isobutyraldehyde SCHEMBL3458543 | 0.90 | — | — | |
| Isobutyraldehyde SCHEMBL9404976 | 0.90 | — | — | |
| Isobutyraldehyde SCHEMBL5665993 | 0.90 | — | — | |
| Isobutyraldehyde SCHEMBL5396003 | 0.90 | — | — | |
| Isobutyraldehyde SCHEMBL20816986 | 0.90 | — | — | |
| Isobutyraldehyde SCHEMBL9351587 | 0.90 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106459049-A | Tyrosine kinase inhibitors | 普林斯匹亚生物制药公司 | 2017-02-22 | — | — | CN | disclosed |
| US-7619050-B2 | Alkoxyamines containing a radically polymerizable group | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2009-11-17 | — | — | US | disclosed |
| EP-1749032-B1 | ALKOXYAMINES CONTAINING A RADICALLY POLYMERIZABLE GROUP | CIBA SC HOLDING AG (CH) | 2008-02-27 | — | — | EP | disclosed |
| US-20070232768-A1 | Alkoxyamines Containing a Radically Polymerizable Group | CIBA SPECIALTY CHEMICALS CORP. | 2007-10-04 | — | — | US | disclosed |
| EP-1749032-A1 | ALKOXYAMINES CONTAINING A RADICALLY POLYMERIZABLE GROUP | Ciba Geigy Specialty Chemicals Holding Inc. (CH) | 2007-02-07 | — | — | EP | disclosed |
| WO-2005118651-A1 | ALKOXYAMINES CONTAINING A RADICALLY POLYMERIZABLE GROUP | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2005-12-15 | — | — | WO | disclosed |
| CN-1051910-A | Benzoxazine derivatives and pharmaceutical compositions containing them | YAMANOUCHI PHARMRCEUTICAL (JP) | 1991-06-05 | — | — | CN | disclosed |