⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL726025 | 1.00 | — | — | |
| SCHEMBL19295595 | 1.00 | — | — | |
| SCHEMBL29734794 | 0.97 | ALDH1A1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL5468165 | 0.97 | ALDH1A1 (0.47) | — | |
| SCHEMBL29734704 | 0.95 | ALDH1A1 (0.45) | — | |
| SCHEMBL24883881 | 0.92 | ALDH1A1 (0.52) | — | |
| SCHEMBL18822227 | 0.92 | ALDH1A1 (0.52) | — | |
| SCHEMBL725914 | 0.92 | ALDH1A1 (0.52) | — | |
| SCHEMBL12334347 | 0.90 | ALDH1A1 (0.50) | — | |
| SCHEMBL11754625 | 0.90 | ALDH1A1 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210094912-A1 | INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS | RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) | 2021-04-01 | — | — | US | disclosed |
| US-20200325124-A1 | THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2020-10-15 | — | — | US | disclosed |
| US-8088770-B2 | Modulators of pharmacokinetic properties of therapeutics | GILEAD SCIENCES, INC. (US) | 2012-01-03 | — | — | US | disclosed |
| US-20090181902-A1 | Modulators of pharmacokinetic properties of therapeutics | GILEAD SCIENCES,INC. (US) | 2009-07-16 | — | — | US | disclosed |