⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11225741 | 1.00 | — | — | |
| SCHEMBL14351852 | 1.00 | TSHR (0.56) | — | |
| SCHEMBL7454479 | 1.00 | TSHR (0.56) | — | |
| SCHEMBL851045 | 0.97 | — | — | |
| SCHEMBL435492 | 0.87 | — | — | |
| SCHEMBL25030516 | 0.85 | TSHR (0.42) | — | |
| SCHEMBL10532870 | 0.85 | TSHR (0.42) | — | |
| Bicarbonate SCHEMBL11778367 | 0.84 | TSHR (0.46) | — | |
| SCHEMBL1003333 | 0.83 | ALDH1A1 (0.58) | — | |
| SCHEMBL818520 | 0.83 | — | — |
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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118480264-B | Preparation method of high-salt material for purifying wastewater | 杭州万得斯环保科技有限公司 | 2025-01-24 | — | — | CN | claimed |
| EP-0877742-B1 | METHOD OF PRODUCTION OF LOVASTATIN | BALKANPHARMA RAZGRAD AD (BG) | 2001-08-16 | — | — | EP | claimed |
| US-4059610-A | Process for preparing isocyanic acid derivatives | KAO SOAP CO., LTD. (JA) | 1977-11-22 | — | — | US | claimed |
| CN-118480264-B | Preparation method of high-salt material for purifying wastewater | 杭州万得斯环保科技有限公司 | 2025-01-24 | — | — | CN | disclosed |
| CN-118480264-B | Preparation method of high-salt material for purifying wastewater | 杭州万得斯环保科技有限公司 | 2025-01-24 | — | — | CN | disclosed |
| EP-2432464-B1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | INNOVATION PHARMACEUTICALS INC (US) | 2019-01-09 | — | — | EP | disclosed |
| US-9610275-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2017-04-04 | — | — | US | disclosed |
| US-9610275-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2017-04-04 | — | — | US | disclosed |
| US-9610275-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2017-04-04 | — | — | US | disclosed |
| US-9340491-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2016-05-17 | — | — | US | disclosed |
| US-9340491-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2016-05-17 | — | — | US | disclosed |
| WO-1987005510-A1 | QUINOLINYL ETHER OR THIOETHER TETRAZOLES AS AGENTS FOR THE TREATMENT OF HYPERSENSITIVE AILMENTS | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1987-09-24 | — | — | WO | disclosed |
| US-4661505-A | 4-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY) ALKANOIC ACIDS, TETRAZOLES, AND DERIVATIVES | ELI LILLY AND COMPANY (US) | 1987-04-28 | — | — | US | disclosed |
| US-4537924-A | Quadratic acid amide derivatives, their use as stabilizers, and synthetic resins treated therewith | CHEMISCHE WERKE HUELS, AG (DE) | 1985-08-27 | — | — | US | disclosed |
| EP-0108592-A1 | Leukotriene antagonists | ELI LILLY AND COMPANY (US) | 1984-05-16 | — | — | EP | disclosed |
| EP-0001900-B1 | 9-THIA-12-AZAPROSTANOIC ACID DERIVATIVES AND COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1982-04-07 | — | — | EP | disclosed |
| US-4225609-A | Interphenylene 9-thia-11-oxo-12-aza-prostanoic acids | MERCK & CO., INC. (US) | 1980-09-30 | — | — | US | disclosed |
| EP-0001900-A1 | 9-Thia-12-azaprostanoic acid derivatives and compositions containing them | MERCK & CO. INC. (US) | 1979-05-16 | — | — | EP | disclosed |
| US-4059610-A | Process for preparing isocyanic acid derivatives | KAO SOAP CO., LTD. (JA) | 1977-11-22 | — | — | US | disclosed |
| US-3941827-A | Preparation of halogenated nitriles | MICHIGAN CHEMICAL CORPORATION (US) | 1976-03-02 | — | — | US | disclosed |