⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8955219 | 0.80 | CA12 (0.35) | — | |
| SCHEMBL5957797 | 0.77 | AKR1C2 (0.33) | — | |
| SCHEMBL27496418 | 0.75 | AKR1C2 (0.33) | — | |
| SCHEMBL17047323 | 0.75 | — | — | |
| SCHEMBL4452437 | 0.75 | PBRM1 (0.35) | — | |
| SCHEMBL1413359 | 0.73 | PTGS2 (0.44) | — | |
| SCHEMBL26689 | 0.72 | KMT2A (0.44) | — | |
| SCHEMBL15350067 | 0.72 | TSHR (0.34) | — | |
| SCHEMBL7586879 | 0.72 | IDO1 (0.39) | — | |
| SCHEMBL5684868 | 0.72 | ALDH1A1 (0.31) | — |
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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030158186-A1 | Compositions and methods for treating heart failure | CYTOKINETICS, INCORPORATED | 2003-08-21 | — | — | US | claimed |
| WO-2003059265-A2 | COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE | CYTOKINETICS, INC. (US) | 2003-07-24 | — | — | WO | claimed |
| US-5616711-A | REACTING BUTENE DERIVATIVE TO AN AMIDE DERIVATIVE; USEFUL AS INTERMEDIATES FOR PRODUCING ANTIULCER DRUGS | FUJIREBIO INC. (JP) | 1997-04-01 | — | — | US | claimed |
| EP-0582304-A2 | Methods of producing amino butene derivatives | FUJIREBIO Inc. (JP) | 1994-02-09 | — | — | EP | claimed |
| EP-0292889-B1 | BENZALDEHYDE DERIVATIVES, THEIR PREPARATION AND USE | BASF Aktiengesellschaft (DE) | 1992-09-02 | — | — | EP | claimed |
| US-4908451-A | Process for preparing α-substituted carbonyl compound | AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 1990-03-13 | — | — | US | claimed |
| US-4892936-A | Process for the preparation or α-azo esters | AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 1990-01-09 | — | — | US | claimed |
| EP-0337689-A1 | Tetralin esters of phenols or benzoic acids having retinoid like activity | ALLERGAN, INC (US) | 1989-10-18 | — | — | EP | claimed |
| US-4772714-A | Process for the preparation of α-aryl and α-heteroaryl ketones | AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) | 1988-09-20 | — | — | US | claimed |
| JP-63122677-A | — | — | None | — | — | JP | disclosed |
| CN-114173780-A | Compounds for reducing the deleterious activity of genes containing extended nucleotide repeats | 小利兰·斯坦福大学托管委员会 | 2022-03-11 | — | — | CN | disclosed |
| US-10857121-B2 | Use of malononitrile compounds for protecting animals from parasites | MERIAL INC. (US) | 2020-12-08 | — | — | US | disclosed |
| EP-2902846-B1 | POSITIVE PHOTOSENSITIVE RESIN COMPOSITION | TORAY INDUSTRIES (JP) | 2019-11-20 | — | — | EP | disclosed |
| EP-3131398-B1 | USE OF MALONONITRILE COMPOUNDS FOR PROTECTING ANIMALS FROM PARASITES | BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) | 2019-10-23 | — | — | EP | disclosed |
| US-5049634-A | Derivatized and/or crosslinked products from acetal- and aldehyde-containing polysaccharide graft polymers | NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) | 1991-09-17 | — | — | US | disclosed |
| EP-0418917-A2 | Monomers and polymers containing acetal and aldehyde groups | National Starch and Chemical Investment Holding Corporation (US) | 1991-03-27 | — | — | EP | disclosed |
| US-4908451-A | Process for preparing α-substituted carbonyl compound | AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 1990-03-13 | — | — | US | disclosed |
| US-4892936-A | Process for the preparation or α-azo esters | AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 1990-01-09 | — | — | US | disclosed |
| US-4772714-A | Process for the preparation of α-aryl and α-heteroaryl ketones | AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) | 1988-09-20 | — | — | US | disclosed |
| JP-S63122677-A | BETA-ALLYLOXIRANE COMPOUND | TOAGOSEI CHEM IND CO LTD | 1988-05-26 | — | — | JP | disclosed |