⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10202108 | 0.86 | — | — | |
| SCHEMBL14665080 | 0.86 | — | — | |
| SCHEMBL20143951 | 0.86 | — | — | |
| SCHEMBL3408249 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL31105288 | 0.84 | — | — | |
| SCHEMBL19773674 | 0.82 | — | — | |
| SCHEMBL13062884 | 0.82 | SLC6A4 (0.33) | — | |
| SCHEMBL11917217 | 0.76 | — | — | |
| SCHEMBL4328730 | 0.73 | — | — | |
| SCHEMBL24907239 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230203060-A1 | FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) | 2023-06-29 | — | — | US | disclosed |
| WO-2022081655-A1 | SUBSTITUTED DIHYDROPYRANOPYRIMIDINE COMPOUNDS AS KRAS INHIBITORS | ACCUTAR BIOTECHNOLOGY, INC. (US) | 2022-04-21 | — | — | WO | disclosed |
| WO-2017167218-A1 | ANTIBACTERIAL COMPOSITION AND USE THEREOF | 山东轩竹医药科技有限公司 | 2017-10-05 | — | — | 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 |