⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27680378 | 0.71 | — | — | |
| SCHEMBL24192307 | 0.57 | TSHR (0.31) | — | |
| SCHEMBL3890714 | 0.55 | — | — | |
| SCHEMBL18630449 | 0.53 | TSHR (0.44) | — | |
| SCHEMBL3203517 | 0.53 | — | — | |
| SCHEMBL125065 | 0.52 | — | — | |
| SCHEMBL28433 | 0.52 | — | — | |
| SCHEMBL25404414 | 0.48 | MEN1 (0.42) | — | |
| SCHEMBL4549129 | 0.47 | — | — | |
| SCHEMBL4969030 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104411806-A | Aqueous alkanolamine absorbent composition comprising piperazine for enhanced removal of hydrogen sulfide from gaseous mixtures and method for using the same | DOW GLOBAL TECHNOLOGIES INC | 2015-03-11 | — | — | CN | disclosed |