⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11452951 | 0.73 | CA12 (0.37) | — | |
| SCHEMBL11452952 | 0.73 | CA12 (0.37) | — | |
| SCHEMBL1478906 | 0.72 | CA12 (0.32) | — | |
| SCHEMBL1478904 | 0.72 | CA12 (0.32) | — | |
| SCHEMBL1478426 | 0.71 | CA12 (0.31) | — | |
| SCHEMBL1478429 | 0.71 | CA12 (0.31) | — | |
| SCHEMBL13028455 | 0.69 | — | — | |
| SCHEMBL10491535 | 0.69 | CA12 (0.37) | — | |
| SCHEMBL15684410 | 0.68 | — | — | |
| SCHEMBL101514 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3887353-A1 | PANTETHEINE DERIVATIVES AND USES THEREOF | Comet Therapeutics, Inc. (US) | 2021-10-06 | — | — | EP | disclosed |
| WO-2020113209-A1 | PANTETHEINE DERIVATIVES AND USES THEREOF | COMET THERAPEUTICS, INC. (US) | 2020-06-04 | — | — | WO | disclosed |