⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31673214 | 0.79 | — | — | |
| SCHEMBL2516618 | 0.79 | — | — | |
| SCHEMBL23855425 | 0.77 | — | — | |
| SCHEMBL15652181 | 0.77 | — | — | |
| SCHEMBL16176810 | 0.77 | — | — | |
| SCHEMBL23869520 | 0.76 | CYP11B2 (0.36) | — | |
| SCHEMBL21576035 | 0.74 | CYP11B2 (0.35) | — | |
| SCHEMBL21414701 | 0.74 | KAT2B (0.46) | — | |
| SCHEMBL12571598 | 0.71 | CYP11B2 (0.33) | — | |
| SCHEMBL21718840 | 0.71 | CYP17A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023205465-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-26 | — | — | WO | disclosed |
| WO-2022263548-A1 | 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS | LEAD DISCOVERY CENTER GMBH (DE) | 2022-12-22 | — | — | WO | disclosed |
| EP-4104901-A1 | 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS | Lead Discovery Center GmbH (DE) | 2022-12-21 | — | — | EP | disclosed |
| WO-2020114212-A1 | 4-(3-HETEROCYCLYL-1-BENZOYL) PYRAZOLE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION THEREOF AND USE THEREOF | 青岛清原化合物有限公司 | 2020-06-11 | — | — | WO | disclosed |