⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28086053 | 0.77 | SIRT6 (0.30) | — | |
| SCHEMBL29210395 | 0.73 | — | — | |
| SCHEMBL1486699 | 0.73 | — | — | |
| SCHEMBL28847539 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL25426983 | 0.68 | — | — | |
| SCHEMBL7282705 | 0.68 | MAPT (0.30) | — | |
| SCHEMBL28277334 | 0.67 | — | — | |
| SCHEMBL28210458 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL28858419 | 0.65 | POLB (0.44) | — | |
| SCHEMBL9719333 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0283162-B1 | HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 1993-08-11 | — | — | EP | disclosed |
| US-4902686-A | Tricyclic heterocyclic compounds and their use in treating benzodiazepin receptor-related ailments | A/S FERROSAN (DK) | 1990-02-20 | — | — | US | disclosed |
| US-4873244-A | AILMENTS ASSOCIATED WITH BENZODIAZEPINE RECEPTORS | A/S FERROSAN (DK) | 1989-10-10 | — | — | US | disclosed |
| EP-0283162-A2 | Heterocyclic compounds and their preparation and use | NOVO NORDISK A/S (DK) | 1988-09-21 | — | — | EP | disclosed |