⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL153190 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL11457195 | 0.78 | — | — | |
| Iodomethane SCHEMBL28458300 | 0.75 | — | — | |
| SCHEMBL9620540 | 0.69 | DPP4 (0.33) | — | |
| SCHEMBL9190435 | 0.67 | — | — | |
| SCHEMBL4937109 | 0.67 | — | — | |
| Nitric Acid SCHEMBL14696581 | 0.64 | CA5A (0.38) | — | |
| SCHEMBL18760940 | 0.63 | CA12 (0.53) | — | |
| SCHEMBL19309179 | 0.63 | — | — | |
| SCHEMBL8271645 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150307441-A1 | NEW COMPOUNDS AND USES THEREOF | BIOSTATUS LIMITED (GB) | 2015-10-29 | — | — | US | disclosed |