⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23786813 | 0.76 | POLB (0.31) | — | |
| SCHEMBL19919914 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL11767844 | 0.67 | — | — | |
| SCHEMBL20526105 | 0.67 | — | — | |
| SCHEMBL11686459 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL11766392 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL23128366 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL11686469 | 0.66 | TP53 (0.30) | — | |
| SCHEMBL13993531 | 0.66 | ALDH1A1 (0.34) | — | |
| SCHEMBL4642311 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019008164-A1 | BIOCONJUGATES WITH A CONTROLLED DEGREE OF CONJUGATION, THEIR PROCESS OF PREPARATION, AND THE REAGENTS FOR THEIR PREPARATION | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2019-01-10 | — | — | WO | disclosed |
| EP-3424538-A1 | BIOCONJUGATES WITH A CONTROLLED DEGREE OF CONJUGATION, THEIR PROCESS OF PREPARATION, AND THE REAGENTS FOR THEIR PREPARATION | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2019-01-09 | — | — | EP | disclosed |