⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29324153 | 1.00 | — | — | |
| SCHEMBL4916951 | 0.88 | KDM4E (0.41) | — | |
| SCHEMBL24693886 | 0.84 | EPHX1 (0.40) | — | |
| SCHEMBL24075865 | 0.82 | EPHX1 (0.39) | — | |
| SCHEMBL3692235 | 0.80 | KDM4E (0.36) | — | |
| SCHEMBL22077927 | 0.80 | HTR2A (0.36) | — | |
| SCHEMBL27012844 | 0.80 | KDM4E (0.36) | — | |
| SCHEMBL4747076 | 0.80 | KDM4E (0.36) | — | |
| SCHEMBL4745035 | 0.80 | KDM4E (0.36) | — | |
| SCHEMBL18663433 | 0.79 | EPHX1 (0.35) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023014927-A1 | PRODRUGS OF TAPINAROF | ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) | 2023-02-09 | — | — | WO | disclosed |
| WO-2022256554-A1 | FLUORINATED TRYPTAMINE COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME | UNIVERSITY OF THE SCIENCES (US) | 2022-12-08 | — | — | WO | disclosed |
| WO-2019183133-A1 | Pan-Tropic Entry Inhibitors | EMORY UNIVERSITY (US) | 2019-09-26 | — | — | WO | disclosed |
| US-10246478-B2 | Polyene macrolide derivative | SHIONOGI & CO., LTD. (JP) | 2019-04-02 | — | — | US | disclosed |
| US-20170190729-A1 | POLYENE MACROLIDE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2017-07-06 | — | — | US | disclosed |
| US-7419990-B2 | Piperidine derivatives as melanocortin-4 receptor agonists | MERCK & CO., INC. (US) | 2008-09-02 | — | — | US | disclosed |
| US-7419990-B2 | Piperidine derivatives as melanocortin-4 receptor agonists | MERCK & CO., INC. (US) | 2008-09-02 | — | — | US | disclosed |