⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11239392 | 0.74 | TAS2R38 (0.44) | — | |
| SCHEMBL5789669 | 0.74 | TAS2R38 (0.44) | — | |
| SCHEMBL7326915 | 0.71 | — | — | |
| SCHEMBL5461027 | 0.69 | — | — | |
| SCHEMBL6966348 | 0.69 | — | — | |
| SCHEMBL16325437 | 0.69 | — | — | |
| SCHEMBL8432171 | 0.69 | — | — | |
| SCHEMBL9248194 | 0.69 | — | — | |
| SCHEMBL12701532 | 0.65 | — | — | |
| SCHEMBL465316 | 0.65 | — | — |
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-9907854-B2 | Crosslinking reagents, macromolecules, therapeutic bioconjugates, and synthetic methods thereof | CellMosaic, Inc. (US) | 2018-03-06 | — | — | US | disclosed |
| US-20170065726-A1 | NOVEL CROSSLINKING REAGENTS, MACROMOLECULES, THERAPEUTIC BIOCONJUGATES, AND SYNTHETIC METHODS THEREOF | CELLMOSAIC INC (US) | 2017-03-09 | — | — | US | disclosed |