⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22982141 | 1.00 | — | — | |
| SCHEMBL34474446 | 0.75 | MAPT (0.35) | — | |
| SCHEMBL22990242 | 0.74 | CHRM2 (0.40) | — | |
| SCHEMBL21142612 | 0.74 | CHRM2 (0.40) | — | |
| SCHEMBL21465821 | 0.71 | NOTUM (0.33) | — | |
| SCHEMBL23888590 | 0.71 | NOTUM (0.33) | — | |
| SCHEMBL23888671 | 0.68 | — | — | |
| SCHEMBL1849562 | 0.68 | — | — | |
| SCHEMBL1746234 | 0.68 | POLB (0.35) | — | |
| SCHEMBL26924350 | 0.68 | POLB (0.35) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4373822-A2 | COMPOSITIONS AND METHODS FOR INHIBITION OF RAS | Theras Inc. (US) | 2024-05-29 | — | — | EP | disclosed |
| WO-2024030633-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF KRAS | THERAS, INC. (US) | 2024-02-08 | — | — | WO | disclosed |
| WO-2023130117-A1 | DEUTERATED ORGANIC COMPOUNDS AND USES THEREOF | ENGRAIL THERAPEUTICS, INC. (US) | 2023-07-06 | — | — | WO | disclosed |
| WO-2023004102-A2 | COMPOSITIONS AND METHODS FOR INHIBITION OF RAS | THERAS, INC. (US) | 2023-01-26 | — | — | WO | disclosed |
| US-20220289732-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | NOVARTIS AG (CH) | 2022-09-15 | — | — | US | disclosed |
| EP-4010334-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | Novartis AG (CH) | 2022-06-15 | — | — | EP | disclosed |
| WO-2021028806-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | NOVARTIS AG (CH) | 2021-02-18 | — | — | WO | disclosed |