⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28184858 | 0.86 | — | — | |
| Piperazine SCHEMBL28059508 | 0.85 | PREP (0.33) | — | |
| SCHEMBL1838102 | 0.80 | PREP (0.37) | — | |
| SCHEMBL28856336 | 0.79 | CHRM2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL28241841 | 0.79 | PREP (0.36) | — | |
| SCHEMBL28113304 | 0.77 | SIGMAR1 (0.32) | — | |
| SCHEMBL28223429 | 0.76 | SIGMAR1 (0.32) | — | |
| SCHEMBL28222533 | 0.76 | MAPK1 (0.35) | — | |
| SCHEMBL28099175 | 0.75 | CHRM2 (0.31) | — | |
| SCHEMBL29552182 | 0.74 | PREP (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106061973-B | Pyrrolo [2,3-D ] pyrimidinyl, pyrrolo [2,3-B ] pyrazinyl and pyrrolo [2,3-D ] pyridylacrylamide | 辉瑞公司 | 2019-07-09 | — | — | CN | disclosed |
| CN-107417684-A | Heterocyclic acryloyloxy amine | 辉瑞公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-106061973-A | Pyrrolo [2,3-D ] pyrimidinyl, pyrrolo [2,3-B ] pyrazinyl and pyrrolo [2,3-D ] pyridylacrylamide | 辉瑞公司 | 2016-10-26 | — | — | CN | disclosed |