⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23463261 | 0.91 | ALDH1A1 (0.32) | — | |
| SCHEMBL22301245 | 0.89 | — | — | |
| SCHEMBL20243585 | 0.88 | — | — | |
| SCHEMBL19049681 | 0.87 | — | — | |
| SCHEMBL22857442 | 0.87 | — | — | |
| SCHEMBL26883058 | 0.87 | — | — | |
| SCHEMBL21974001 | 0.87 | — | — | |
| SCHEMBL20284089 | 0.86 | — | — | |
| SCHEMBL25547647 | 0.84 | EPHX1 (0.37) | — | |
| SCHEMBL25540952 | 0.83 | KISS1R (0.34) | — |
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-2017089894-A1 | CONJUGATES COMPRISING PEPTIDE GROUPS AND METHODS RELATED THERETO | LEGOCHEM BIOSCIENCES, INC. (KR) | 2017-06-01 | — | — | WO | disclosed |
| WO-2017089890-A1 | CONJUGATES COMPRISING SELF-IMMOLATIVE GROUPS AND METHODS RELATED THERETO | LEGOCHEM BIOSCIENCES, INC. (KR) | 2017-06-01 | — | — | WO | disclosed |
| US-9315542-B2 | Prodrugs of peptide epoxy ketone protease inhibitors | ONYX THERAPEUTICS, INC. (US) | 2016-04-19 | — | — | US | disclosed |