⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29313169 | 0.83 | — | — | |
| SCHEMBL21788095 | 0.81 | ADRB2 (0.36) | — | |
| SCHEMBL24064983 | 0.70 | KDM4E (0.33) | — | |
| SCHEMBL6025541 | 0.69 | — | — | |
| SCHEMBL21788081 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL104741 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL21788084 | 0.67 | TP53 (0.35) | — | |
| SCHEMBL23879715 | 0.65 | — | — | |
| SCHEMBL23550067 | 0.63 | TSHR (0.32) | — | |
| SCHEMBL25062111 | 0.63 | TSHR (0.30) | — |
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-20210369855-A1 | CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE | HANGZHOU DAC BIOTECH CO., LTD. (CN) | 2021-12-02 | — | — | US | disclosed |
| US-20200069814-A1 | CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE | HANGZHOU DAC BIOTECH CO., LTD. (CN) | 2020-03-05 | — | — | US | disclosed |