⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17772265 | 0.76 | — | — | |
| SCHEMBL22278993 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL7940219 | 0.72 | — | — | |
| SCHEMBL26784144 | 0.69 | — | — | |
| SCHEMBL24777647 | 0.68 | TDP1 (0.33) | — | |
| SCHEMBL25710385 | 0.67 | — | — | |
| SCHEMBL1190933 | 0.67 | — | — | |
| SCHEMBL1190935 | 0.67 | — | — | |
| SCHEMBL29093795 | 0.64 | CYP2C19 (0.47) | — | |
| SCHEMBL28440727 | 0.64 | CYP2C19 (0.47) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220324890-A1 | CONTROLLED-DELIVERY CROMAKALIM PRODRUGS | QLARIS BIO, INC. | 2022-10-13 | — | — | US | disclosed |