⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21236685 | 0.73 | EPHB3 (0.46) | — | |
| SCHEMBL22911106 | 0.67 | MEN1 (0.42) | — | |
| SCHEMBL6845042 | 0.67 | ATM (0.32) | — | |
| SCHEMBL362985 | 0.65 | KDM4E (0.49) | — | |
| SCHEMBL22667034 | 0.64 | AXL (0.39) | — | |
| SCHEMBL23176059 | 0.64 | TGFBR1 (0.32) | — | |
| SCHEMBL16520926 | 0.64 | — | — | |
| SCHEMBL21236686 | 0.64 | IDO1 (0.36) | — | |
| SCHEMBL18381454 | 0.62 | KDM4E (0.34) | — | |
| SCHEMBL10281634 | 0.62 | SRC (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019149286-A1 | HETEROBICYCLIC CARBOXYLIC ACIDS FOR TREATING CANCER OR INFLAMMATORY DISEASES | SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) | 2019-08-08 | — | — | WO | disclosed |