⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17349813 | 0.71 | — | — | |
| SCHEMBL21154610 | 0.71 | — | — | |
| SCHEMBL21154614 | 0.71 | — | — | |
| SCHEMBL5888763 | 0.69 | — | — | |
| SCHEMBL9621009 | 0.62 | — | — | |
| SCHEMBL7600 | 0.60 | — | — | |
| SCHEMBL3991516 | 0.60 | CYP2A6 (0.31) | — | |
| SCHEMBL6201505 | 0.59 | CFTR (0.35) | — | |
| SCHEMBL18849437 | 0.59 | — | — | |
| SCHEMBL12430552 | 0.58 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3735411-B1 | 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) | 2024-07-10 | — | — | EP | disclosed |
| 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 |