⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29976575 | 0.79 | — | — | |
| SCHEMBL2200429 | 0.75 | — | — | |
| SCHEMBL31637479 | 0.73 | LMNA (0.31) | — | |
| SCHEMBL26670492 | 0.72 | — | — | |
| SCHEMBL31604498 | 0.72 | — | — | |
| SCHEMBL31604518 | 0.72 | — | — | |
| SCHEMBL28517828 | 0.71 | DUT (0.31) | — | |
| SCHEMBL21224419 | 0.70 | — | — | |
| SCHEMBL21224417 | 0.70 | — | — | |
| SCHEMBL30664718 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230348506-A1 | MACROCYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF | VECTIVBIO COMET AG, F/K/A COMET THERAPEUTICS, INC. (CH) | 2023-11-02 | — | — | US | disclosed |
| EP-4065556-A1 | MACROCYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF | Comet Therapeutics, Inc. (US) | 2022-10-05 | — | — | EP | disclosed |