⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL5111069 | 0.97 | IDO1 (0.56) | — | |
| Hydrochloric Acid SCHEMBL1014617 | 0.97 | IDO1 (0.56) | — | |
| Pivalate SCHEMBL9953468 | 0.79 | NPC1 (0.46) | — | |
| SCHEMBL6740216 | 0.79 | TAAR1 (0.71) | — | |
| SCHEMBL672407 | 0.79 | IDO1 (0.62) | — | |
| SCHEMBL29519238 | 0.79 | IDO1 (0.62) | — | |
| SCHEMBL126469 | 0.77 | — | — | |
| Bromide SCHEMBL11300760 | 0.76 | PNMT (0.62) | — | |
| Hydrochloric Acid SCHEMBL1043019 | 0.76 | PNMT (0.62) | — | |
| SCHEMBL2520376 | 0.74 | IDO1 (0.56) | — |
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-117304191-A | Fused pyrazine derivatives as A2A/A2B inhibitors | 因赛特公司 | 2023-12-29 | — | — | CN | disclosed |
| CN-113166153-A | Fused pyrazine derivatives as A2A/A2B inhibitors | 因赛特公司 | 2021-07-23 | — | — | CN | disclosed |
| CN-108884070-B | Pyridyl derivatives as bromodomain inhibitors | 葛兰素史克知识产权第二有限公司 | 2021-07-02 | — | — | CN | disclosed |
| CN-106432213-A | Heteroaryl derivatives as CFTR modulators | 沃泰克斯药物股份有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-103382201-B | Heteroaryl derivative as CFTR regulator | 沃泰克斯药物股份有限公司 | 2016-12-28 | — | — | CN | disclosed |
| CN-105008344-A | Bruton's tyrosine kinase inhibitors | PFIZER | 2015-10-28 | — | — | CN | disclosed |
| CN-103951614-A | Pyridyl derivatives as CFTR modulators | VERTEX PHARMA | 2014-07-30 | — | — | CN | disclosed |
| CN-102245573-B | Heteroaryl derivatives as cftr modulators | VERTEX PHARMA | 2013-11-20 | — | — | CN | disclosed |
| CN-103382201-A | Heteroaryl derivatives as cftr modulators | VERTEX PHARMA | 2013-11-06 | — | — | CN | disclosed |