⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17835258 | 1.00 | — | — | |
| SCHEMBL14474737 | 1.00 | — | — | |
| SCHEMBL2163319 | 1.00 | — | — | |
| SCHEMBL8736366 | 1.00 | — | — | |
| SCHEMBL13392845 | 1.00 | — | — | |
| SCHEMBL8736364 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27683920 | 0.98 | CNR2 (0.35) | — | |
| SCHEMBL4840204 | 0.95 | TSHR (0.43) | — | |
| SCHEMBL4840420 | 0.93 | TSHR (0.41) | — | |
| SCHEMBL16900558 | 0.92 | TSHR (0.38) | — |
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-20200131201-A1 | TYK2 INHIBITORS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-04-30 | — | — | US | disclosed |
| WO-2019162323-A1 | NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-08-29 | — | — | WO | disclosed |
| WO-2016100281-A1 | INDOLE AND AZAINDOLES DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES | MERCK PATENT GMBH (DE) | 2016-06-23 | — | — | WO | disclosed |
| US-20160168090-A1 | NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES | MERCK PATENT GMBH (DE) | 2016-06-16 | — | — | US | disclosed |