⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8210134 | 0.93 | GNAI3 (0.59) | — | |
| SCHEMBL19606298 | 0.91 | GNAI3 (0.62) | — | |
| SCHEMBL18033864 | 0.84 | — | — | |
| SCHEMBL24228170 | 0.83 | GLB1 (0.46) | — | |
| SCHEMBL3231892 | 0.82 | GLB1 (0.48) | — | |
| SCHEMBL6066308 | 0.82 | GLB1 (0.48) | — | |
| SCHEMBL3242510 | 0.82 | GLB1 (0.48) | — | |
| SCHEMBL6119163 | 0.82 | GNAI3 (0.63) | — | |
| SCHEMBL3231907 | 0.82 | GLB1 (0.48) | — | |
| SCHEMBL22778679 | 0.81 | GLB1 (0.52) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11780834-B2 | Solid forms of 3-((1R,3R)-1-(2,6-difluoro-4-((1-(3-fluoropropyl)azetidin-3- yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol and processes for preparing fused tricyclic compounds comprising a substituted phenyl or pyridinyl moiety, including methods of their use | GENENTECH, INC. (US) | 2023-10-10 | — | — | US | disclosed |
| WO-2021163254-A1 | HETEROCYCLIC PAD4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-08-19 | — | — | WO | disclosed |
| WO-2020033490-A1 | SUBSTITUTED THIENOPYRROLES AS PAD4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-02-13 | — | — | WO | disclosed |
| CN-108473478-A | TBK/IKK inhibitor compounds and uses thereof | 默克专利有限公司 | 2018-08-31 | — | — | CN | disclosed |