Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of 3-Methylbutanoic 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 | |
|---|---|---|---|---|
| 3-Methylbutanoic Acid SCHEMBL29461587 | 0.97 | CA2 (0.94) | — | |
| 3-Methylbutanoic Acid SCHEMBL3682595 | 0.94 | CA2 (0.88) | — | |
| 3-Methylbutanoic Acid SCHEMBL3182324 | 0.94 | CA2 (0.88) | — | |
| 3-Methylbutanoic Acid SCHEMBL8572469 | 0.94 | CA2 (0.88) | — | |
| 3-Methylbutanoic Acid SCHEMBL9124487 | 0.94 | CA2 (0.88) | — | |
| 3-Methylbutanoic Acid SCHEMBL5462119 | 0.94 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL8388209 | 0.94 | CA2 (0.88) | — | |
| 3-Methylbutanoic Acid SCHEMBL9124489 | 0.94 | CA2 (0.88) | — | |
| 3-Methylbutanoic Acid SCHEMBL5842501 | 0.94 | CA2 (0.88) | — | |
| 3-Methylbutanoic Acid SCHEMBL8570885 | 0.94 | CA2 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4868100-A | IMPROVED COLOR REPRODUCTIBILITY | KONICA CORPORATION (JP) | 1989-09-19 | — | — | US | claimed |
| CN-122070276-A | Prodrugs of xanomeline, prodrugs of trospium chloride and methods of using the same | 人类生物科学股份有限公司 | 2026-05-19 | — | — | CN | disclosed |
| EP-4705289-A1 | PRODRUGS OF XANOMELINE, PRODRUGS OF TROSPIUM AND METHODS OF USE THEREOF | Terran Biosciences Inc. (US) | 2026-03-11 | — | — | EP | disclosed |
| WO-2024226691-A1 | PRODRUGS OF XANOMELINE, PRODRUGS OF TROSPIUM AND METHODS OF USE THEREOF | TERRAN BIOSCIENCES INC. (US) | 2024-10-31 | — | — | WO | disclosed |
| US-4868100-A | IMPROVED COLOR REPRODUCTIBILITY | KONICA CORPORATION (JP) | 1989-09-19 | — | — | US | disclosed |
| US-3968108-A | Process for preparing a desacetoxycephalosporin from a penam and/or a cepham compound | ELI LILLY AND COMPANY (US) | 1976-07-06 | — | — | US | disclosed |