⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27064828 | 0.88 | — | — | |
| SCHEMBL23891928 | 0.86 | SLC6A4 (0.42) | — | |
| SCHEMBL12205329 | 0.82 | KDM1A (0.40) | — | |
| SCHEMBL23323156 | 0.82 | — | — | |
| SCHEMBL15739795 | 0.80 | KDM1A (0.44) | — | |
| SCHEMBL25640277 | 0.75 | CYP2D6 (0.35) | — | |
| SCHEMBL20296417 | 0.75 | — | — | |
| SCHEMBL24818437 | 0.75 | — | — | |
| SCHEMBL9173925 | 0.73 | — | — | |
| SCHEMBL25640281 | 0.72 | KCNH2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023086495-A1 | PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | CALICO LIFE SCIENCES LLC (US) | 2023-05-19 | — | — | WO | disclosed |
| WO-2023056441-A1 | CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS | PRELUDE THERAPEUTICS INCORPORATED (US) | 2023-04-06 | — | — | WO | disclosed |
| WO-2020023782-A1 | BIFUNCTIONAL COMPOUNDS AS CDK MODULATORS | BIOTHERYX, INC. (US) | 2020-01-30 | — | — | WO | disclosed |