⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27473452 | 0.98 | TET2 (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL28630593 | 0.98 | TET2 (0.50) | — | |
| SCHEMBL28134858 | 0.81 | — | — | |
| SCHEMBL27337764 | 0.81 | — | — | |
| SCHEMBL28131947 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL27642204 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL4104132 | 0.80 | GAA (0.53) | — | |
| SCHEMBL27275384 | 0.80 | MAOA (0.41) | — | |
| SCHEMBL7273290 | 0.80 | — | — | |
| SCHEMBL4094098 | 0.80 | ADRA1A (0.49) | — |
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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112740045-A | Markers for the risk of developing insulin resistance in childhood and adolescence | 雀巢产品有限公司 | 2021-04-30 | — | — | CN | disclosed |
| CN-106132963-B | (5, 6-dihydro) pyrimido [4,5-e ] indolizines | 荷兰转化研究中心有限责任公司 | 2019-08-06 | — | — | CN | disclosed |
| CN-109942560-A | MACROCYCLIZATION REACTIONS AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANALOGS OF HALICHONDRIN B | 卫材R&D管理有限公司 | 2019-06-28 | — | — | CN | disclosed |
| US-10267777-B2 | Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment | METABOLON, INC. (US) | 2019-04-23 | — | — | US | disclosed |
| CN-105683198-B | Macrocyclization reactions and intermediates useful in the synthesis of analogs of halichondrin B | 卫材R&D管理有限公司 | 2019-03-12 | — | — | CN | disclosed |
| CN-108383792-A | A kind of diallyl imidazoles methoxyacetic acid salt, lignin solvent and preparation and application | 河南科技大学 | 2018-08-10 | — | — | CN | disclosed |
| CN-105648758-B | A kind of production technology of water repellent type cotton duplex spread-blade fabric | 江阴市长泾花园毛纺织有限公司 | 2018-01-30 | — | — | CN | disclosed |
| CN-105648757-B | A kind of water-repellent finishing method of bafta layer | 江阴市长泾花园毛纺织有限公司 | 2018-01-30 | — | — | CN | disclosed |
| US-20170089872-A1 | SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT | METABOLON, INC. | 2017-03-30 | — | — | US | disclosed |
| CN-106132963-A | (5, 6-dihydro) pyrimido [4,5-e ] indolizines | 荷兰转化研究中心有限责任公司 | 2016-11-16 | — | — | CN | disclosed |
| US-20030215506-A1 | Methods and compositions for enhancement of creatine transport | KUHRTS ERIC H (US) | 2003-11-20 | — | — | US | disclosed |
| US-20030211133-A1 | Ingestible composition for enhancing athletic performance | SPECIAL OPS NUTRITION, L.L.C. | 2003-11-13 | — | — | US | disclosed |
| CN-1440816-A | Improvement for diagnosis and/or therapeutic agnet and its relative improvement | NYCOMED IMAGING AS (NO) | 2003-09-10 | — | — | CN | disclosed |
| CN-1087311-C | Soluble copolymers for hair cosmetics | BASF AG (DE) | 2002-07-10 | — | — | CN | disclosed |
| WO-2001035953-A2 | EXERCISE AND MUSCLE ENHANCEMENT FORMULATIONS | KUHRTS ERIC H (US) | 2001-05-25 | — | — | WO | disclosed |
| CN-1234742-A | Improvements in or relating to diagnostic and/or therapeutic agents | NYCOMED IMAGING AS (NO) | 1999-11-10 | — | — | CN | disclosed |
| CN-1206013-A | Aqueous copolymer dispersions of water-soluble monomers with N-vinyl groups and hydrophobic monomers | BASF AG (DE) | 1999-01-27 | — | — | CN | disclosed |
| CN-1187812-A | Indole derivatives as CGMP-PDE inhibitors | FUJISAWA PHARMACEUTICAL CO (JP) | 1998-07-15 | — | — | CN | disclosed |
| CN-1149294-A | Process for the preparation of 1-butyl-2- [2- (2H-tetrazol-5-yl) -biphenyl-4-ylmethyl) -1H-indole-3-carboxylic acid | SYNTEX INC (US) | 1997-05-07 | — | — | CN | disclosed |
| CN-1145371-A | Soluble copolymers for hair cosmetics | BASF AG (DE) | 1997-03-19 | — | — | CN | disclosed |