⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9304889 | 0.75 | — | — | |
| SCHEMBL9564545 | 0.75 | — | — | |
| SCHEMBL9564551 | 0.75 | — | — | |
| SCHEMBL15392928 | 0.75 | GABRR1 (0.41) | — | |
| SCHEMBL15393032 | 0.75 | GABRR1 (0.41) | — | |
| SCHEMBL22640215 | 0.75 | GABRR1 (0.41) | — | |
| SCHEMBL15391701 | 0.75 | GABRR1 (0.41) | — | |
| SCHEMBL15391389 | 0.75 | GABRR1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL26672234 | 0.73 | GABRR1 (0.42) | — | |
| SCHEMBL29172218 | 0.70 | SUCNR1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104185477-A | Cytotoxic peptides and antibody-drug conjugates thereof | PFIZER | 2014-12-03 | — | — | CN | disclosed |
| EP-2780039-A2 | CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF | Pfizer Inc (US) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013072813-A2 | CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF | PFIZER INC. (US) | 2013-05-23 | — | — | WO | disclosed |