⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25687851 | 0.79 | — | — | |
| SCHEMBL19721579 | 0.75 | — | — | |
| SCHEMBL25900218 | 0.75 | — | — | |
| SCHEMBL23995692 | 0.72 | — | — | |
| SCHEMBL14802734 | 0.72 | PIK3CD (0.31) | — | |
| SCHEMBL6965211 | 0.71 | CHRNB2 (0.33) | — | |
| SCHEMBL733735 | 0.71 | CHRNB2 (0.33) | — | |
| SCHEMBL16592200 | 0.69 | — | — | |
| SCHEMBL12439788 | 0.69 | — | — | |
| SCHEMBL6933375 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230365605-A1 | BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF | WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT | 2023-11-16 | — | — | US | disclosed |
| US-20210139517-A1 | BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF | Revolution Medicines, Inc. | 2021-05-13 | — | — | US | disclosed |
| US-20200054617-A1 | Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2020-02-20 | — | — | US | disclosed |