⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21028690 | 0.77 | CA12 (0.40) | — | |
| SCHEMBL11592017 | 0.74 | SIGMAR1 (0.54) | — | |
| SCHEMBL5988081 | 0.71 | — | — | |
| SCHEMBL14199968 | 0.71 | SMN1; SMN2 (0.56) | — | |
| SCHEMBL20581686 | 0.71 | SMN1; SMN2 (0.56) | — | |
| SCHEMBL22860279 | 0.71 | EPHX1 (0.42) | — | |
| SCHEMBL22241118 | 0.70 | — | — | |
| SCHEMBL15189278 | 0.70 | EPHX1 (0.46) | — | |
| SCHEMBL15223634 | 0.68 | CES2 (0.46) | — | |
| SCHEMBL9804119 | 0.68 | SMN1; SMN2 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3493848-B1 | HETEROCYCLIC DIAMIDINES | UNIV FRIEDRICH ALEXANDER ER (DE) | 2021-09-29 | — | — | EP | disclosed |