⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL190461 | 0.78 | — | — | |
| SCHEMBL14134960 | 0.78 | — | — | |
| SCHEMBL12072827 | 0.74 | — | — | |
| SCHEMBL280557 | 0.74 | — | — | |
| SCHEMBL10234942 | 0.72 | — | — | |
| Formaldehyde SCHEMBL28876984 | 0.71 | S1PR2 (0.42) | — | |
| SCHEMBL23181498 | 0.69 | GABRB3 (0.36) | — | |
| SCHEMBL19301335 | 0.69 | MAPT (0.34) | — | |
| SCHEMBL18068188 | 0.69 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL13045682 | 0.69 | GRM5 (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10689388-B1 | Indole AHR inhibitors and uses thereof | Ikena Oncology, Inc. (US) | 2020-06-23 | — | — | US | disclosed |
| WO-2017117239-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS | FLATLEY DISCOVERY LAB, LLC (US) | 2017-07-06 | — | — | WO | disclosed |