⚠ 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 | |
|---|---|---|---|---|
| Boric Acid SCHEMBL28786416 | 0.90 | CES2 (0.41) | — | |
| SCHEMBL180426 | 0.77 | — | — | |
| SCHEMBL990583 | 0.75 | — | — | |
| Magnesium SCHEMBL6436089 | 0.74 | CES2 (0.50) | — | |
| SCHEMBL15271850 | 0.74 | CES2 (0.50) | — | |
| SCHEMBL28629090 | 0.72 | — | — | |
| SCHEMBL1864082 | 0.72 | — | — | |
| SCHEMBL1656402 | 0.71 | — | — | |
| Bromide SCHEMBL8429963 | 0.71 | CES2 (0.48) | — | |
| SCHEMBL3038641 | 0.69 | CES2 (0.46) | — |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108516928-A | A kind of preparation process of 1- (2,3- difluorophenyls) -2- methyl-1s-acetone | 苏州莱克施德药业有限公司 | 2018-09-11 | — | — | CN | claimed |
| WO-2023143402-A1 | STEROID COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 珂阑(上海)医药科技有限公司 | 2023-08-03 | — | — | WO | disclosed |
| CN-116514891-A | Steroid compound, preparation method and application thereof | 珂阑(上海)医药科技有限公司 | 2023-08-01 | — | — | CN | disclosed |
| CN-108516928-A | A kind of preparation process of 1- (2,3- difluorophenyls) -2- methyl-1s-acetone | 苏州莱克施德药业有限公司 | 2018-09-11 | — | — | CN | disclosed |
| CN-102656159-B | Cgrp receptor antagonists | BRISTOL MYERS SQUIBB CO | 2015-07-01 | — | — | CN | disclosed |
| EP-2488512-B1 | CGRP receptor antagonists | BRISTOL MYERS SQUIBB CO (US) | 2013-11-27 | — | — | EP | disclosed |
| US-8487108-B2 | Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2013-07-16 | — | — | US | disclosed |
| US-20130053570-A1 | CGRP Receptor Antagonists | BRISTOL MYERS SQUIBB CO (US) | 2013-02-28 | — | — | US | disclosed |
| CN-101356156-B | Aspartic protease inhibitors | VITAE PHARMACEUTICALS INC | 2012-12-05 | — | — | CN | disclosed |
| US-8314117-B2 | CGRP receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-11-20 | — | — | US | disclosed |
| US-6420584-B1 | DEPROTONATION USING ALKYL- OR ARYLMETAL COMPOUNDS OR METAL HYDRIDES IN THE PRESENCE OF A CATALYTIC AMOUNT OF A SECONDARY METAL AMIDE. | MERCK PATENT GMBH (DE) | 2002-07-16 | — | — | US | disclosed |
| US-6207835-B1 | DEPROTONATION IN CONTINUOUS FLOW REACTOR | MERCK KGAA (DE) | 2001-03-27 | — | — | US | disclosed |
| US-5273680-A | A chiral tilted smectic liquid crystal based on terphenyls | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-12-28 | — | — | US | disclosed |
| US-5262556-A | Alkylation or hydroxyalkylation by deprotonation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-11-16 | — | — | US | disclosed |
| US-5204019-A | Liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-04-20 | — | — | US | disclosed |
| EP-0329752-B1 | FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS | MERCK PATENT GmbH (DE) | 1993-03-17 | — | — | EP | disclosed |
| CN-1037327-A | Preparation 2, the method for 3-phenyl-difluoride class | MERCK PATENT GMBH (DE) | 1989-11-22 | — | — | CN | disclosed |
| EP-0329752-A1 | FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS | MERCK PATENT GmbH (DE) | 1989-08-30 | — | — | EP | disclosed |
| CN-1035107-A | FLUORINATED OLIGOPHENYL DERIVATIVES | MERCK PATENT GMBH (DE) | 1989-08-30 | — | — | CN | disclosed |
| WO-1989002425-A1 | FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-03-23 | — | — | WO | disclosed |