⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1471904 | 0.89 | ALDH1A1 (0.30) | — | |
| SCHEMBL4918730 | 0.73 | — | — | |
| SCHEMBL20757006 | 0.70 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL28895228 | 0.69 | EPHX1 (0.33) | — | |
| SCHEMBL11641454 | 0.69 | — | — | |
| SCHEMBL4351060 | 0.68 | — | — | |
| SCHEMBL11887330 | 0.68 | — | — | |
| SCHEMBL17237533 | 0.64 | — | — | |
| SCHEMBL9896188 | 0.64 | EPHX1 (0.30) | — | |
| SCHEMBL1470317 | 0.63 | MEN1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021014415-A2 | SMALL MOLECULE INHIBITORS OF ACETYL COENZYME A SYNTHETASE SHORT CHAIN 2 (ACSS2) | CURADEV PHARMA PVT. LTD. (IN) | 2021-01-28 | — | — | WO | disclosed |
| WO-2019243825-A1 | SMALL MOLECULE MODULATORS OF HUMAN STING, CONJUGATES AND THERAPEUTIC APPLICATIONS | CURADEV PHARMA LIMITED (GB) | 2019-12-26 | — | — | WO | disclosed |