⚠ 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-Methyl-(E)-2-Butenal SCHEMBL16862200 | 1.00 | ALDH1A1 (0.43) | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL28327622 | 0.96 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL27957860 | 0.96 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL28076322 | 0.96 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL28368643 | 0.96 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL6364571 | 0.96 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL28109738 | 0.93 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL11070534 | 0.89 | ALDH1A1 (0.39) | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL28225138 | 0.89 | ALDH1A1 (0.39) | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL28678511 | 0.84 | ALDH1A1 (0.36) | — |
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
Appears in 5819 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20260146992-A1 | INTESTINAL BIOMARKERS FOR GUT HEALTH IN DOMESTICATED BIRDS | INTERNATIONAL N&H DENMARK APS (DK) | 2026-05-28 | — | — | US | claimed |
| US-20260146298-A1 | INTESTINAL BIOMARKERS FOR GUT HEALTH IN DOMESTICATED BIRDS | INTERNATIONAL N&H DENMARK APS (DK) | 2026-05-28 | — | — | US | claimed |
| CN-122081006-A | Fenugreek tincture aroma fitting object based on key aroma components and aroma synergy and application thereof | — | 2026-05-26 | — | — | CN | claimed |
| US-12630758-B2 | Downhole methods and compositions used in such | DORF KETAL CHEMICALS FZE (AE) | 2026-05-19 | — | — | US | claimed |
| EP-4720026-A1 | PROCESSES FOR THE PREPARATION OF CITRAL AND INTERRELATED PRODUCTS | BASF SE (DE) | 2026-04-08 | — | — | EP | claimed |
| EP-4217362-B1 | REDUCTION BY A SILANE IN THE PRESENCE OF ZINC CATALYST | FIRMENICH & CIE (CH) | 2026-03-18 | — | — | EP | claimed |
| US-12551142-B2 | Noninvasive device for monitor, detection, and diagnosis of diseases and human performance | TAO TREASURES, LLC (US) | 2026-02-17 | — | — | US | claimed |
| EP-4680020-A1 | COMPOSITIONS INCLUDING ALDEHYDES WITH IMPROVED RELEASE RATE AND DEGRADATION PROPERTIES | FMC Agricultural Solutions A/S (DK) | 2026-01-21 | — | — | EP | claimed |
| WO-2025262099-A1 | A METHOD FOR PREPARATION OF ISOPRENOL AND DOWNSTREAM PRODUCTS THEREOF FROM ISOAMYL ALCOHOL | BASF SE (DE) | 2025-12-26 | — | — | WO | claimed |
| US-12497557-B2 | Methods for stimulating a hydrocarbon-bearing formation by perforating a wellbore and introducing an acidic composition in the wellbore | DORF KETAL CHEMICALS FZE (AE) | 2025-12-16 | — | — | US | claimed |
| EP-0019112-A1 | Process for the preparation of cyclic acetals of trans-4-chloro-3-methyl-2-buten-1-al and preparation of trans-3-methyl-2-buten-1,4-dial-monoacetals | BASF Aktiengesellschaft (DE) | 1980-11-26 | — | — | EP | claimed |
| US-4192820-A | Preparation of 3-methyl-2-buten-1-al | BASF AKTIENGESELLSCHAFT (DE) | 1980-03-11 | — | — | US | claimed |
| US-4133836-A | UNSATURATED ALDEHYDE AND ALCOHOL, NITRIC ACID, RECTIFICATION | BASF AKTIENGESELLSCHAFT (DE) | 1979-01-09 | — | — | US | claimed |
| US-4073813-A | PLATINUM REDUCTION CATALYST, ALDEHYDES, HYDROGEN | RHONE-POULENC INDUSTRIES (FR) | 1978-02-14 | — | — | US | claimed |
| US-4058536-A | Production of high molecular weight α,β-unsaturated aldehydes | BASF AKTIENGESELLSCHAFT (DT) | 1977-11-15 | — | — | US | claimed |
| US-4055601-A | TO AN OLEFIN ALDEHYDE, CATALYST, FURFURAL HYDROGEN ACCEPTOR | SCM CORPORATION (US) | 1977-10-25 | — | — | US | claimed |
| US-4021411-A | Production of high molecular weight α,β-unsaturated aldehydes | BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) | 1977-05-03 | — | — | US | claimed |
| US-3979471-A | Process for synthesizing ethylenic compounds | AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) | 1976-09-07 | — | — | US | claimed |
| US-3965193-A | Production of high molecular weight α,β-unsaturated aldehydes | BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) | 1976-06-22 | — | — | US | claimed |
| US-3962341-A | Production of piperitenone | BASF AKTIENGESELLSCHAFT (DT) | 1976-06-08 | — | — | US | claimed |