⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22308227 | 0.77 | — | — | |
| SCHEMBL19900787 | 0.77 | — | — | |
| SCHEMBL29899313 | 0.76 | BCHE (0.36) | — | |
| SCHEMBL29899221 | 0.76 | BCHE (0.33) | — | |
| Hydrochloric Acid SCHEMBL21296632 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL19900861 | 0.76 | — | — | |
| SCHEMBL21958137 | 0.74 | — | — | |
| SCHEMBL5017633 | 0.74 | BCHE (0.38) | — | |
| SCHEMBL21398363 | 0.74 | — | — | |
| SCHEMBL23370974 | 0.73 | — | — |
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-3504212-A1 | SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF | Gilead Sciences, Inc. (US) | 2019-07-03 | — | — | EP | disclosed |
| WO-2018039531-A1 | SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF | GILEAD SCIENCES, INC. (US) | 2018-03-01 | — | — | WO | disclosed |