Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Butyric 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 | |
|---|---|---|---|---|
| Butyric Acid SCHEMBL268034 | 0.97 | FFAR3 (0.93) | — | |
| Butyric Acid SCHEMBL11286276 | 0.94 | FFAR3 (0.88) | — | |
| Butyric Acid SCHEMBL11859270 | 0.94 | FFAR3 (0.88) | — | |
| Butyric Acid SCHEMBL11791713 | 0.94 | FFAR3 (0.88) | — | |
| Butyric Acid SCHEMBL10647607 | 0.94 | FFAR3 (0.88) | — | |
| Butyric Acid SCHEMBL15821467 | 0.94 | — | — | |
| Butyric Acid SCHEMBL15821320 | 0.94 | FFAR3 (0.88) | — | |
| Butyric Acid SCHEMBL3036389 | 0.94 | FFAR3 (0.88) | — | |
| Butyric Acid SCHEMBL29521493 | 0.94 | FFAR3 (0.88) | — | |
| Butyric Acid SCHEMBL1070956 | 0.94 | FFAR3 (0.88) | — |
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-0922046-B1 | PROCESS FOR THE PREPARATION OF 7-ALKOXYALKYL-1,2,4-TRIAZOLO 1,5-A] PYRIMIDINE DERIVATIVES | ABBOTT GMBH & CO KG (DE) | 2004-04-28 | — | — | EP | disclosed |
| US-6225469-B1 | REACTING TRIAZOLOPYRIMIDINE DERIVATIVE WITH PHENOL COMPOUND IN PRESENCE OF DILUENT, REDOX COUPLE; ADDING METAL SALT TO FORM COMPLEX OR COMPLEXES WITH OXIDIZED REDUCING AGENT; SEPARATING PRODUCT | KNOLL AKTIENGESELLSCHAFT (DE) | 2001-05-01 | — | — | US | disclosed |
| EP-0922046-A1 | PROCESS FOR THE PREPARATION OF 7-ALKOXYALKYL-1,2,4-TRIAZOLO 1,5-A] PYRIMIDINE DERIVATIVES | KNOLL AKTIENGESELLSCHAFT (DE) | 1999-06-16 | — | — | EP | disclosed |
| WO-1998007724-A1 | PROCESS FOR THE PREPARATION OF 7-ALKOXYALKYL-1,2,4-TRIAZOLO[1,5-A] PYRIMIDINE DERIVATIVES | KNOLL AKTIENGESELLSCHAFT (DE) | 1998-02-26 | — | — | WO | disclosed |