⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14157901 | 0.84 | TRPV1 (0.46) | — | |
| SCHEMBL16384476 | 0.82 | — | — | |
| SCHEMBL7100921 | 0.79 | — | — | |
| SCHEMBL12512687 | 0.79 | — | — | |
| SCHEMBL7883493 | 0.79 | — | — | |
| SCHEMBL21813723 | 0.77 | — | — | |
| SCHEMBL15664030 | 0.77 | — | — | |
| SCHEMBL1436203 | 0.77 | — | — | |
| SCHEMBL15664234 | 0.77 | — | — | |
| SCHEMBL228531 | 0.77 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020012357-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | INTEGRAL BIOSCIENCES PVT. LTD. (IN) | 2020-01-16 | — | — | WO | disclosed |
| US-8859730-B2 | Native chemical ligation at serine and threonine sites | SUZHOU NEXTIDE BIOTECH CO., LTD. (CN) | 2014-10-14 | — | — | US | disclosed |
| EP-0299328-B1 | REACTIVE DYES | BAYER AG (DE) | 1991-07-10 | — | — | EP | disclosed |
| US-4874857-A | FIBER-REACTIVE DYES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-10-17 | — | — | US | disclosed |