⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL22437570 | 0.96 | — | — | |
| SCHEMBL2889072 | 0.96 | — | — | |
| SCHEMBL50175 | 0.96 | — | — | |
| SCHEMBL15651255 | 0.96 | TSHR (0.43) | — | |
| Hydrochloric Acid SCHEMBL929894 | 0.92 | — | — | |
| Bromide SCHEMBL8067104 | 0.92 | — | — | |
| Propane SCHEMBL27421619 | 0.92 | — | — | |
| Water SCHEMBL7740655 | 0.89 | — | — | |
| Bromide SCHEMBL15916956 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL28828349 | 0.89 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106163278-A | Alkanolamine sulfate water conditioners | 亨斯迈石油化学有限责任公司 | 2016-11-23 | — | — | CN | disclosed |
| WO-1993002131-A1 | AMINE-MODIFIED POLYESTER PIGMENT DISPERSING AGENTS | PPG INDUSTRIES, INC. (US) | 1993-02-04 | — | — | WO | disclosed |
| EP-0359832-A1 | SURFACE-TREATING AGENT AND FILLER POWDER SURFACE-TREATED WITH THE AGENT | NIPPON SODA CO., LTD. (JP) | 1990-03-28 | — | — | EP | disclosed |