⚠ 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 | |
|---|---|---|---|---|
| 1,6-Hexanediol SCHEMBL1827503 | 0.94 | — | — | |
| 1,4-Butanediol SCHEMBL15086 | 0.94 | — | — | |
| 1,4-Butanediol SCHEMBL30932429 | 0.94 | — | — | |
| 1,4-Butanediol SCHEMBL18642519 | 0.94 | SMN1; SMN2 (0.58) | — | |
| 1,4-Butanediol SCHEMBL324322 | 0.94 | SMN1; SMN2 (0.58) | — | |
| 1,4-Butanediol SCHEMBL18642509 | 0.94 | SMN1; SMN2 (0.58) | — | |
| SCHEMBL25302278 | 0.88 | TSHR (0.61) | — | |
| 1,4-Butanediol SCHEMBL21542368 | 0.88 | — | — | |
| SCHEMBL21879690 | 0.88 | TSHR (0.61) | — | |
| SCHEMBL21462773 | 0.88 | TSHR (0.61) | — |
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-109152980-A | Composition comprising organic borate and physical solvent and its purposes for being used to remove sour gas from stream of hydrocarbon fluid | 陶氏环球技术有限责任公司 | 2019-01-04 | — | — | CN | disclosed |