⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7592069 | 0.81 | TDP1 (0.33) | — | |
| SCHEMBL18534158 | 0.74 | — | — | |
| SCHEMBL7529160 | 0.73 | — | — | |
| SCHEMBL17953254 | 0.73 | — | — | |
| SCHEMBL15893612 | 0.71 | — | — | |
| SCHEMBL3808439 | 0.71 | — | — | |
| SCHEMBL10753481 | 0.71 | — | — | |
| SCHEMBL10403380 | 0.71 | — | — | |
| SCHEMBL898058 | 0.71 | — | — | |
| SCHEMBL3197142 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016077518-A1 | MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-05-19 | — | — | WO | disclosed |
| EP-1764112-B1 | Method for preparing linear cyclodextrin copolymers | CALIFORNIA INST OF TECHN (US) | 2013-02-13 | — | — | EP | disclosed |