⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1422923 | 0.62 | ALDH1A1 (0.30) | — | |
| SCHEMBL14218092 | 0.61 | POLB (0.34) | — | |
| Hydrochloric Acid SCHEMBL21410155 | 0.61 | — | — | |
| SCHEMBL3592207 | 0.55 | TP53 (0.39) | — | |
| SCHEMBL20718281 | 0.54 | — | — | |
| SCHEMBL19548893 | 0.51 | — | — | |
| SCHEMBL11515642 | 0.51 | GABRA5 (0.34) | — | |
| SCHEMBL7968570 | 0.51 | AKR1B1 (0.53) | — | |
| SCHEMBL92858 | 0.51 | KDM4E (0.43) | — | |
| SCHEMBL22587458 | 0.51 | KDM4E (0.43) | — |
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-1748982-A1 | (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME LTD. (GB) | 2007-02-07 | — | — | EP | disclosed |
| WO-2005108362-A1 | (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME LIMITED (GB) | 2005-11-17 | — | — | WO | disclosed |