⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21557059 | 1.00 | — | — | |
| SCHEMBL26903206 | 1.00 | — | — | |
| SCHEMBL8053694 | 1.00 | — | — | |
| SCHEMBL17359180 | 1.00 | — | — | |
| SCHEMBL5689671 | 1.00 | — | — | |
| SCHEMBL8675050 | 0.82 | TP53 (0.44) | — | |
| SCHEMBL8395798 | 0.80 | — | — | |
| SCHEMBL276441 | 0.76 | — | — | |
| SCHEMBL7530284 | 0.76 | LMNA (0.38) | — | |
| SCHEMBL12868869 | 0.76 | — | — |
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-20190055280-A1 | TRANSITION METAL-BASED SELECTIVE FUNCTIONALIZATION OF CHALCOGENS IN BIOMOLECULES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2019-02-21 | — | — | US | disclosed |
| WO-2018026763-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC. (US) | 2018-02-08 | — | — | WO | disclosed |