⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL351046 | 0.88 | — | — | |
| SCHEMBL31165398 | 0.72 | — | — | |
| SCHEMBL1601699 | 0.72 | DUT (0.36) | — | |
| SCHEMBL1601589 | 0.69 | DUT (0.41) | — | |
| SCHEMBL223474 | 0.68 | — | — | |
| SCHEMBL22689310 | 0.67 | — | — | |
| SCHEMBL28662677 | 0.67 | GAA (0.34) | — | |
| SCHEMBL2142743 | 0.67 | DUT (0.39) | — | |
| SCHEMBL2152288 | 0.67 | CYP2C19 (0.32) | — | |
| SCHEMBL5081792 | 0.67 | TSHR (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230107216-A1 | PANTETHEINE DERIVATIVES AND USES THEREOF | VECTIVBIO COMET AG, F/K/A COMET THERAPEUTICS, INC. (CH) | 2023-04-06 | — | — | US | disclosed |
| 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 |