⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6537062 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL996119 | 0.76 | — | — | |
| SCHEMBL289826 | 0.76 | — | — | |
| SCHEMBL163091 | 0.74 | — | — | |
| SCHEMBL20146983 | 0.72 | TDP1 (0.33) | — | |
| SCHEMBL16280996 | 0.71 | KDM4E (0.42) | — | |
| SCHEMBL125115 | 0.71 | — | — | |
| SCHEMBL20321513 | 0.70 | HDAC3 (0.37) | — | |
| SCHEMBL19051109 | 0.70 | — | — | |
| SCHEMBL156638 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023234427-A1 | ANTIBODY-MULTIDRUG CONJUGATE PRECURSOR AND SYNTHETIC INTERMEDIATE THEREOF | ＵＢＥ株式会社 | 2023-12-07 | — | — | WO | disclosed |
| WO-2023234426-A1 | ANTIBODY-MULTIDRUG CONJUGATE | ＵＢＥ株式会社 | 2023-12-07 | — | — | WO | disclosed |
| US-20090175888-A1 | METHODS OF TREATING CANCER WITH AN ANTIBODY-DRUG CONJUGATE | MEDAREX, INC. (US) | 2009-07-09 | — | — | US | disclosed |