⚠ 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 | |
|---|---|---|---|---|
| 2,3-Pentanedione SCHEMBL8677138 | 1.00 | — | — | |
| 2,3-Pentanedione SCHEMBL1514922 | 1.00 | ALDH1A1 (0.53) | — | |
| 2,3-Pentanedione SCHEMBL8124624 | 0.96 | — | — | |
| 2,3-Pentanedione SCHEMBL15608522 | 0.96 | ALDH1A1 (0.50) | — | |
| 2,3-Pentanedione SCHEMBL30534889 | 0.96 | — | — | |
| 2,3-Pentanedione SCHEMBL473662 | 0.96 | ALDH1A1 (0.50) | — | |
| 2,3-Pentanedione SCHEMBL29438255 | 0.96 | ALDH1A1 (0.50) | — | |
| 2,3-Pentanedione SCHEMBL2789914 | 0.96 | — | — | |
| 2,3-Pentanedione SCHEMBL15608615 | 0.96 | ALDH1A1 (0.50) | — | |
| 2,3-Pentanedione SCHEMBL27873063 | 0.96 | — | — |
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 6873 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-20260114475-A1 | ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME | MARS, INCORPORATED (US) | 2026-04-30 | — | — | US | claimed |
| US-20260096574-A1 | CHOCOLATE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS | VOYAGE FOODS INC (US) | 2026-04-09 | — | — | US | claimed |
| EP-4721852-A1 | METHOD AND APPARATUS FOR REGENERATION OF FIXED BED CATALYTIC REACTOR | LG Chem, Ltd. (KR) | 2026-04-08 | — | — | EP | claimed |
| EP-4713379-A1 | POLYURETHANE COMPOSITIONS | B4PLastics BV (BE) | 2026-03-25 | — | — | EP | claimed |
| EP-4695852-A1 | ELECTROCATALYTIC HYDROGEN CARRIER COMPOSITIONS | Ayrton Energy Inc. (CA) | 2026-02-18 | — | — | EP | claimed |
| US-12552956-B2 | Photopolymerizable type dental surface coating composition | SHOFU INC. (JP) | 2026-02-17 | — | — | US | claimed |
| US-20260028562-A1 | FLAVORED POROUS MATERIAL FOR FLAVORED BEVERAGE PRODUCTION | DANSTAR FERMENT AG (CH) | 2026-01-29 | — | — | US | claimed |
| US-20260007144-A1 | CHOCOLATE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS | VOYAGE FOODS INC (US) | 2026-01-08 | — | — | US | claimed |
| EP-4672967-A2 | ALTERNATIVE COFFEE BEVERAGES | Compound Foods Inc. (US) | 2026-01-07 | — | — | EP | claimed |
| WO-2025245119-A1 | A NEW THERAPEUTIC APPROACH FOR TREATING ELEVATED LIPOPROTEIN (A) | RHODE ISLAND HOSPITAL (US) | 2025-11-27 | — | — | WO | claimed |
| US-4098884-A | ANTITUMOR AGENTS | SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) | 1978-07-04 | — | — | US | claimed |
| US-4092172-A | Photocurable composition comprising a copolymer of a maleic acid monoester with an α-olefine | KANSAI PAINT CO., LTD. (JA) | 1978-05-30 | — | — | US | claimed |
| US-4084970-A | Organic volume phase holographic recording media using sucrose benzoate | RCA CORPORATION (US) | 1978-04-18 | — | — | US | claimed |
| US-4051164-A | FLAVORS | GENERAL FOODS CORPORATION (US) | 1977-09-27 | — | — | US | claimed |
| US-4012346-A | ACRYLONITRILE COPOLYMER, CELLULOSE ESTER, METAL COMPOUND | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JA) | 1977-03-15 | — | — | US | claimed |
| US-4001131-A | BLEACHING | THE PROCTER & GAMBLE COMPANY (US) | 1977-01-04 | — | — | US | claimed |
| US-3959509-A | Flavoring foodstuffs using sulfur-containing compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-05-25 | — | — | US | claimed |
| US-3958029-A | Novel flavoring compositions and products comprising 2,5-dimethyl-3-thioisovaleryl furan | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-05-18 | — | — | US | claimed |
| US-3954584-A | Photopolymerizable vinylurethane liquid composition | KANSAI PAINT COMPANY (JA) | 1976-05-04 | — | — | US | claimed |
| US-3951663-A | Organic volume phase holographic recording media comprising an α di-ketone | RCA CORPORATION (US) | 1976-04-20 | — | — | US | claimed |