⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8564993 | 1.00 | — | — | |
| SCHEMBL2785652 | 0.87 | MCL1 (0.40) | — | |
| SCHEMBL13476958 | 0.85 | PSMB5 (0.38) | — | |
| SCHEMBL5690896 | 0.82 | CA1 (0.43) | — | |
| SCHEMBL21603664 | 0.81 | TSHR (0.42) | — | |
| SCHEMBL13785286 | 0.80 | — | — | |
| SCHEMBL16506663 | 0.78 | KISS1R (0.36) | — | |
| SCHEMBL20734740 | 0.78 | — | — | |
| SCHEMBL15145452 | 0.78 | MMP2 (0.40) | — | |
| SCHEMBL21557650 | 0.78 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3210627-A1 | CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS | Hangzhou Dac Biotech Co., Ltd (CN) | 2017-08-30 | — | — | EP | disclosed |
| WO-2017134547-A1 | TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION | PFIZER INC. (US) | 2017-08-10 | — | — | WO | disclosed |
| WO-2011044225-A1 | MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-04-14 | — | — | WO | disclosed |