⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21998629 | 0.73 | MAOB (0.36) | — | |
| SCHEMBL669647 | 0.67 | — | — | |
| SCHEMBL4429605 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL27804997 | 0.65 | — | — | |
| SCHEMBL28185567 | 0.65 | — | — | |
| SCHEMBL11775192 | 0.64 | ALDH1A1 (0.62) | — | |
| SCHEMBL11777850 | 0.61 | ALDH1A1 (0.41) | — | |
| SCHEMBL15648091 | 0.60 | CDK8 (0.35) | — | |
| SCHEMBL11765049 | 0.60 | — | — | |
| SCHEMBL2524220 | 0.58 | PEPD (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200147232-A1 | BIOCONJUGATES WITH A CONTROLLED DEGREE OF CONJUGATION, THEIR PROCESS OF PREPARATION, AND THE REAGENTS FOR THEIR PREPARATION | SYNDIVIA (FR) | 2020-05-14 | — | — | US | disclosed |
| CN-105378107-A | Multiplex methylation-specific amplification systems and methods | ABBOTT MOLECULAR INC | 2016-03-02 | — | — | CN | disclosed |