⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL28936011 | 0.97 | — | — | |
| SCHEMBL15957905 | 0.90 | GLI1 (0.46) | — | |
| SCHEMBL745837 | 0.83 | — | — | |
| SCHEMBL11248818 | 0.81 | — | — | |
| SCHEMBL6215053 | 0.79 | GLI1 (0.38) | — | |
| SCHEMBL6244920 | 0.79 | GSTP1 (0.38) | — | |
| SCHEMBL6244929 | 0.79 | GSTP1 (0.38) | — | |
| SCHEMBL6244923 | 0.79 | GSTP1 (0.38) | — | |
| SCHEMBL354995 | 0.79 | GSTP1 (0.38) | — | |
| SCHEMBL354993 | 0.79 | GSTP1 (0.38) | — |
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 953 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116854577-B | Method and device for producing crotonaldehyde by catalyzing gas-phase acetaldehyde through Zr-beta molecular sieve | 天津大学 | 2026-05-12 | — | — | CN | claimed |
| EP-4715006-A2 | UNSATURATED SCORCH RETARDERS | Nouryon Chemicals International B.V. (NL) | 2026-03-25 | — | — | EP | claimed |
| US-20260078088-A1 | UNSATURATED SCORCH RETARDERS | NOURYON CHEMICALS INTERNATIONAL B.V. (NL) | 2026-03-19 | — | — | US | claimed |
| US-20260043010-A1 | ENONE REDUCTASES | CODEXIS, INC. (US) | 2026-02-12 | — | — | US | claimed |
| US-12371674-B2 | Enone reductases | CODEXIS, INC. (US) | 2025-07-29 | — | — | US | claimed |
| US-20250194617-A1 | Materials and Methods for Extending Shelf-Life of Foods | JP LABORATORIES, INC. | 2025-06-19 | — | — | US | claimed |
| CN-120130678-A | Preparation method of mixed tobacco electronic cigarette liquid | 广州华芳烟用香精有限公司 | 2025-06-13 | — | — | CN | claimed |
| US-20250169514-A1 | Materials and Methods for Extending Shelf-Life of Foods | JP LABORATORIES, INC. | 2025-05-29 | — | — | US | claimed |
| CN-120040274-A | Method for preparing ketone compounds by catalytic hydrogenation of cellulose based on crude hydrogen atmosphere | 华南理工大学 | 2025-05-27 | — | — | CN | claimed |
| CN-120040273-A | Method for preparing ketone compounds by catalyzing cellulose hydrogenolysis through Pd/C supported catalyst | 华南理工大学 | 2025-05-27 | — | — | CN | claimed |
| EP-1711465-A1 | HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2006-10-18 | — | — | EP | claimed |
| WO-2006065711-A2 | OCTAHYDROPYRANO[3,4-C]PYRROLE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-06-22 | — | — | WO | claimed |
| WO-2005073191-A1 | HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2005-08-11 | — | — | WO | claimed |
| US-20050165083-A1 | Hydroisoindoline tachykinin receptor antagonists | VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) | 2005-07-28 | — | — | US | claimed |
| WO-1996021507-A1 | CATALYST FOR ASYMMETRIC DIELS-ALDER REACTIONS | ALBEMARLE CORPORATION (US) | 1996-07-18 | — | — | WO | claimed |
| EP-0110142-B1 | PROCESS FOR THE PREPARATION OF ALKYLATED CYCLOPENTENONES, AND ACETYLENIC ESTERS USEFUL AS STARTING COMPOUNDS IN SAID PREPARATION | FIRMENICH SA (CH) | 1986-12-30 | — | — | EP | claimed |
| US-4499297-A | CYCLIZATION AND REARRANGEMENT OF AN 1-ALKYNYL-2-ALKYL-2-PROPENYL ESTER USING A NOBLE METAL HALIDE-NITRILE CATALYST | FIRMENICH, SA (CH) | 1985-02-12 | — | — | US | claimed |
| EP-0110142-A2 | Process for the preparation of alkylated cyclopentenones, and acetylenic esters useful as starting compounds in said preparation | FIRMENICH SA (CH) | 1984-06-13 | — | — | EP | claimed |
| US-4329508-A | Process for making alkyl cyclopentenones | SCM CORPORATION (US) | 1982-05-11 | — | — | US | claimed |
| US-3953514-A | Process for preparing cyclopentenone derivatives | UBE INDUSTRIES, LTD. (JA) | 1976-04-27 | — | — | US | claimed |