⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9808355 | 0.80 | — | — | |
| SCHEMBL10456970 | 0.80 | — | — | |
| SCHEMBL10349290 | 0.80 | — | — | |
| SCHEMBL90709 | 0.77 | — | — | |
| SCHEMBL10649555 | 0.77 | — | — | |
| Trichloroethane SCHEMBL64609 | 0.77 | — | — | |
| SCHEMBL7490 | 0.77 | — | — | |
| Trichloroethane SCHEMBL10482068 | 0.77 | TSHR (1.00) | — | |
| Trichloroethane SCHEMBL16434 | 0.77 | — | — | |
| Trichloroethane SCHEMBL3833855 | 0.77 | TSHR (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106317349-B | Styrene-isomonoolefin-styrene triblock copolymer and preparation method thereof | 中国石油化工股份有限公司 | 2018-11-02 | — | — | CN | disclosed |
| EP-0997455-A1 | Restricted 9-cis retenoids | American Cyanamid Company (US) | 2000-05-03 | — | — | EP | disclosed |
| US-5968908-A | Restricted 9-cis retinoids | AMERICAN CYANAMID COMPANY (US) | 1999-10-19 | — | — | US | disclosed |
| EP-0718285-A2 | Restricted 9-cis-retinoids | American Cyanamid Company (US) | 1996-06-26 | — | — | EP | disclosed |