⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28801344 | 0.84 | — | — | |
| SCHEMBL11010780 | 0.82 | ADH1B (0.33) | — | |
| SCHEMBL4155536 | 0.77 | — | — | |
| SCHEMBL13660465 | 0.77 | — | — | |
| SCHEMBL4982824 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL22575437 | 0.74 | — | — | |
| SCHEMBL14980229 | 0.74 | SIGMAR1 (0.38) | — | |
| SCHEMBL6050483 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL3271227 | 0.72 | — | — | |
| SCHEMBL9489574 | 0.72 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102924558-A | Betulinic acid esters derivative and preparation method and use of betulinic acid esters derivative | UNIV GUIZHOU | 2013-02-13 | — | — | CN | claimed |
| CN-102875633-A | Betulonic acid ester derivative and preparation method and application thereof | UNIV GUIZHOU | 2013-01-16 | — | — | CN | claimed |
| CN-102924558-A | Betulinic acid esters derivative and preparation method and use of betulinic acid esters derivative | UNIV GUIZHOU | 2013-02-13 | — | — | CN | disclosed |
| CN-102875633-A | Betulonic acid ester derivative and preparation method and application thereof | UNIV GUIZHOU | 2013-01-16 | — | — | CN | disclosed |
| US-7071332-B2 | Indolinone derivatives as protein kinase/phosphatase inhibitors | SUGEN, INC. (US) | 2006-07-04 | — | — | US | disclosed |
| US-20040147586-A1 | Indolinone derivatives as protein kinase/phosphatase inhibitors | SUGEN, INC. | 2004-07-29 | — | — | US | disclosed |
| US-6706709-B2 | TREATING, FOR EXAMPLE, PROLIFERATIVE DISORDERS INCLUDING CANCER | SUGEN, INC. | 2004-03-16 | — | — | US | disclosed |
| US-20020052369-A1 | Indolinone derivatives as protein kinase/phosphatase inhibitors | SUGEN, INC. | 2002-05-02 | — | — | US | disclosed |
| US-3953425-A | Azepine indanyl and tetralin butyrophenones | THE UPJOHN COMPANY (US) | 1976-04-27 | — | — | US | disclosed |