⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21154614 | 0.85 | — | — | |
| SCHEMBL21764226 | 0.78 | NOS3 (0.31) | — | |
| SCHEMBL9295249 | 0.73 | — | — | |
| SCHEMBL21154023 | 0.71 | — | — | |
| SCHEMBL27747526 | 0.68 | — | — | |
| SCHEMBL9375584 | 0.67 | KDM4E (0.32) | — | |
| Hydrochloric Acid SCHEMBL6025175 | 0.67 | TDP2 (0.31) | — | |
| SCHEMBL31298934 | 0.66 | KDM4E (0.31) | — | |
| SCHEMBL17677343 | 0.64 | CYP1A2 (0.33) | — | |
| SCHEMBL30914215 | 0.64 | PDK2 (0.31) | — |
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-2019134978-A1 | 1, 3, 4, 5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER'S DISEASE | AC IMMUNE SA (CH) | 2019-07-11 | — | — | WO | disclosed |