⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7626474 | 0.66 | — | — | |
| SCHEMBL9850382 | 0.58 | — | — | |
| SCHEMBL2783664 | 0.57 | — | — | |
| SCHEMBL15829489 | 0.56 | — | — | |
| SCHEMBL6571348 | 0.56 | — | — | |
| SCHEMBL3604690 | 0.55 | — | — | |
| SCHEMBL18015391 | 0.53 | — | — | |
| SCHEMBL5945099 | 0.51 | — | — | |
| SCHEMBL12796553 | 0.51 | — | — | |
| SCHEMBL4442658 | 0.51 | — | — |
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-3887381-A2 | CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF | Comet Therapeutics, Inc. (US) | 2021-10-06 | — | — | EP | disclosed |
| WO-2020113213-A2 | CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF | COMET THERAPEUTICS, INC. (US) | 2020-06-04 | — | — | WO | disclosed |