⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30123336 | 1.00 | — | — | |
| SCHEMBL27856686 | 0.80 | DPP4 (0.63) | — | |
| SCHEMBL18239035 | 0.79 | PNMT (0.62) | — | |
| SCHEMBL15653809 | 0.79 | TAAR1 (0.44) | — | |
| SCHEMBL7432386 | 0.79 | TAAR1 (0.60) | — | |
| SCHEMBL647527 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL96358 | 0.78 | — | — | |
| SCHEMBL672407 | 0.77 | IDO1 (0.62) | — | |
| SCHEMBL6740216 | 0.77 | TAAR1 (0.71) | — | |
| SCHEMBL29519238 | 0.77 | IDO1 (0.62) | — |
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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7001973-B2 | Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups | DEGUSSA AG (DE) | 2006-02-21 | — | — | US | claimed |
| US-20230250069-A1 | AN INDUSTRIAL SCALE PROCESS FOR THE PREPARATION OF PROTHIOCONAZOLE | HIKAL LIMITED (IN) | 2023-08-10 | — | — | US | disclosed |
| CN-113149971-B | 8- (indoletriazole) substituted coumarin compound and preparation method and application thereof | 港科鹏禾生物(苏州)有限公司 | 2022-12-16 | — | — | CN | disclosed |
| EP-4045488-A1 | AN INDUSTRIAL SCALE PROCESS FOR THE PREPARATION OF PROTHIOCONAZOLE | Hikal Limited (IN) | 2022-08-24 | — | — | EP | disclosed |
| CN-114644631-A | KRAS G12C protein mutation inhibitor, preparation method thereof, pharmaceutical composition and application thereof | 上海维申医药有限公司 | 2022-06-21 | — | — | CN | disclosed |
| CN-113149971-A | 8- (indoletriazole) substituted coumarin compound and preparation method and application thereof | 港科鹏禾生物(苏州)有限公司 | 2021-07-23 | — | — | CN | disclosed |
| WO-2021081677-A1 | CHIRAL GUANIDINES, SALTS THEREOF, METHODS OF MAKING CHIRAL GUANIDINES AND SALTS THEREOF, AND USES OF CHIRAL GUANIDINES AND SALTS THEREOF IN THE PREPARATION OF ENANTIOMERICALLY PURE AMINO ACIDS | FU RUI (CA) | 2021-05-06 | — | — | WO | disclosed |
| WO-2021074739-A1 | AN INDUSTRIAL SCALE PROCESS FOR THE PREPARATION OF PROTHIOCONAZOLE | HIKAL LIMITED (IN) | 2021-04-22 | — | — | WO | disclosed |
| CN-111196750-B | Preparation method of benzyl iodide and derivatives thereof | 清华大学 | 2020-11-10 | — | — | CN | disclosed |
| CN-111196750-A | Preparation method of benzyl iodide and derivatives thereof | 清华大学 | 2020-05-26 | — | — | CN | disclosed |
| WO-2000052067-A1 | PROCESS FOR PRODUCING POLYETHYLENE | EASTMAN CHEMICAL COMPANY (US) | 2000-09-08 | — | — | WO | disclosed |
| US-6008217-A | AN ENZYME INHIBITOR AGAINST INTERLEUKIN-1B, FOR TREATING APOPTOSIS-MEDIATED DISEASES, INCLUDING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, PROLIFERATIVE DISORDERS, INFECTIOUS DISEASES, AND DEGENERATIVE DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-12-28 | — | — | US | disclosed |
| CN-1229412-A | Interleukin-1 beta converting enzyme inhibitors | VERTEX PHARMA (US) | 1999-09-22 | — | — | CN | disclosed |
| US-5874424-A | Inhibitors of interleukin-1β converting enzyme | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-02-23 | — | — | US | disclosed |
| EP-0869967-A2 | INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME | Vertex Pharmaceuticals Incorporated (US) | 1998-10-14 | — | — | EP | disclosed |
| WO-1997022619-A2 | INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-06-26 | — | — | WO | disclosed |
| US-5296603-A | 3-amino-5-o-chlorobenzyl-4,5,6,7-tetrahydrothieno[3,2-c]-pyridine-2-carboxylic acid compounds | FUJI PHOTO FILM CO., LTD. (JP) | 1994-03-22 | — | — | US | disclosed |
| EP-0573955-A1 | 3-Amino-5-o-chlorobenzyl-4,5,6,7-tetrahydrothieno[3,2-c]-pyridine-2-carboxylic acid derivative and process for producing the same | FUJI PHOTO FILM CO., LTD. (JP) | 1993-12-15 | — | — | EP | disclosed |
| US-4017631-A | MICROBIOCIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1977-04-12 | — | — | US | disclosed |
| US-3991202-A | ANTIMICROBIALS | JANSSEN PHARMACEUTICA N.V. (BE) | 1976-11-09 | — | — | US | disclosed |