⚠ 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL3851435 | 1.00 | — | — | |
| Methyl Alcohol SCHEMBL27580271 | 0.95 | — | — | |
| SCHEMBL134032 | 0.82 | — | — | |
| SCHEMBL18760074 | 0.82 | — | — | |
| SCHEMBL27646 | 0.82 | — | — | |
| Methyl Alcohol SCHEMBL9248414 | 0.80 | ALDH1A1 (0.73) | — | |
| Methyl Alcohol SCHEMBL9858726 | 0.77 | ALDH1A1 (0.67) | — | |
| Methyl Alcohol SCHEMBL29255746 | 0.77 | ALDH1A1 (0.67) | — | |
| Alcohol SCHEMBL1300258 | 0.77 | — | — | |
| Methyl Alcohol SCHEMBL4649824 | 0.77 | ALDH1A1 (0.67) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107814798-B | 3-substituted acrylic acid compound and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2020-11-03 | — | — | CN | disclosed |
| CN-110267948-A | Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and methods of making the modulators | 弗特克斯药品有限公司 | 2019-09-20 | — | — | CN | disclosed |
| CN-107814798-A | 3 substitutional crylic acid class compounds and its production and use | 四川科伦博泰生物医药股份有限公司 | 2018-03-20 | — | — | CN | disclosed |
| CN-103889974-B | Radiolabeled compound and they in mammal as phosphodiesterase (PDE10A) quantitative imaging radiotracer purposes | 武田药品工业株式会社 | 2017-10-03 | — | — | CN | disclosed |
| CN-105073741-B | Phthalazinones and isoquinolinones as ROCK inhibitors | 百时美施贵宝公司 | 2017-08-08 | — | — | CN | disclosed |
| CN-106817899-A | Spiroheptane as ROCK inhibitor | 百时美施贵宝公司 | 2017-06-09 | — | — | CN | disclosed |
| CN-105263932-A | Heterocyclic compound | TAKEDA PHARMACEUTICAL | 2016-01-20 | — | — | CN | disclosed |
| CN-105073741-A | Phthalazinones and isoquinolinones as rock inhibitors | BRISTOL MYERS SQUIBB CO | 2015-11-18 | — | — | CN | disclosed |
| CN-102858767-B | As the aminopyrimidine of SYK inhibitor | MERCK SHARP & DOHME CORP. (US) | 2015-08-19 | — | — | CN | disclosed |