⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27393 | 0.85 | — | — | |
| SCHEMBL3635526 | 0.82 | — | — | |
| Potassium SCHEMBL31609876 | 0.82 | — | — | |
| Bromide SCHEMBL17824162 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7545996 | 0.82 | — | — | |
| SCHEMBL23244605 | 0.82 | — | — | |
| SCHEMBL31636743 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL27459305 | 0.82 | — | — | |
| Nitrous Acid SCHEMBL2722388 | 0.77 | ALDH1A1 (0.39) | — | |
| Bromoform SCHEMBL9703431 | 0.74 | ALDH1A1 (0.30) | — |
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-103275112-A | Method for continuously synthesizing arylboronic acid ester by utilizing microreactor | JINAN SHAOYUAN MEDICAL TECHNOLOGY CO LTD | 2013-09-04 | — | — | CN | claimed |
| CN-115819244-A | Preparation method for synthesizing bromonitrobenzene by using continuous flow reaction | 联化科技股份有限公司 | 2023-03-21 | — | — | CN | disclosed |
| EP-3330269-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FATTY ACID BIOSYNTHESIS FOR BACTERIAL INFECTIONS | Vitas Pharma Research Private Limited (IN) | 2018-06-06 | — | — | EP | disclosed |
| US-9115149-B2 | Heterocyclic compounds as inhibitors of fatty acid biosysnthesis for bacterial infections | VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) | 2015-08-25 | — | — | US | disclosed |
| US-20140249170-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FATTY ACID BIOSYSNTHESIS FOR BACTERIAL INFECTIONS | KUMAR, AJAY, DR. (GB) | 2014-09-04 | — | — | US | disclosed |
| EP-2758376-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FATTY ACID BIOSYNTHESIS FOR BACTERIAL INFECTIONS | Vitas Pharma Research Private Limited (IN) | 2014-07-30 | — | — | EP | disclosed |
| CN-103275112-A | Method for continuously synthesizing arylboronic acid ester by utilizing microreactor | JINAN SHAOYUAN MEDICAL TECHNOLOGY CO LTD | 2013-09-04 | — | — | CN | disclosed |
| WO-2013042035-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FATTY ACID BIOSYNTHESIS FOR BACTERIAL INFECTIONS | VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) | 2013-03-28 | — | — | WO | disclosed |
| CN-101550139-A | Dipeptidase-IV inhibitor containing v-triazolo [b] pyrazine | SHANDONG XUANZHU PHARM TECH CO (CN) | 2009-10-07 | — | — | CN | disclosed |