⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28434851 | 0.73 | — | — | |
| SCHEMBL4413323 | 0.71 | — | — | |
| SCHEMBL7678036 | 0.71 | — | — | |
| SCHEMBL18261870 | 0.71 | — | — | |
| SCHEMBL7103301 | 0.71 | — | — | |
| SCHEMBL29137888 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL10906752 | 0.69 | LMNA (0.33) | — | |
| SCHEMBL74565 | 0.67 | — | — | |
| SCHEMBL9489117 | 0.67 | TDP1 (0.33) | — | |
| SCHEMBL7928068 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0912479-B1 | PROCESS FOR THE MANUFACTURE OF ALPHA-HYDROXYCARBONYL COMPOUNDS | EXXONMOBIL CHEM PATENTS INC (US) | 2001-07-25 | — | — | EP | disclosed |
| US-6191308-B1 | ALPHA-HYDROXYCARBONYL COMPOUNDS ARE OBTAINED FROM ALDEHYDES OR KETONES BY FORMING AN ACETAL OR KETAL WHICH IS DECOMPOSED TO A VINYL ETHER, WHICH IS SELECTIVELY OXIDIZED YIELDING AN ALPHA-HYDROXY-ALDEHYDE OR KETONE | EXXON CHEMICAL PATENTS INC. | 2001-02-20 | — | — | US | disclosed |
| EP-0912479-A1 | PROCESS FOR THE MANUFACTURE OF OXYGENATES | EXXON CHEMICAL PATENTS INC. (US) | 1999-05-06 | — | — | EP | disclosed |
| WO-1997041086-A1 | PROCESS FOR THE MANUFACTURE OF OXYGENATES | EXXON CHEMICAL PATENTS INC. (US) | 1997-11-06 | — | — | WO | disclosed |