⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7602835 | 0.82 | — | — | |
| SCHEMBL60300 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL10695221 | 0.78 | — | — | |
| SCHEMBL16994951 | 0.78 | — | — | |
| SCHEMBL7471118 | 0.76 | TP53 (0.41) | — | |
| SCHEMBL27625673 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL4955268 | 0.73 | TSHR (0.30) | — | |
| Lactic Acid SCHEMBL16755594 | 0.73 | TP53 (0.69) | — | |
| Lactic Acid SCHEMBL21357503 | 0.71 | TP53 (0.65) | — | |
| Lactic Acid SCHEMBL22341770 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118302537-A | Blood matrix as reference material for in vitro diagnostics | 森斯艾迪有限公司 | 2024-07-05 | — | — | CN | disclosed |
| CN-104337140-A | Method for long-term household preservation of individual biological tissue cells and active DNA of individual biological tissue cells | SHANGHAI PAILAIXING BIOTECHNOLOGY CO LTD | 2015-02-11 | — | — | CN | disclosed |
| CN-104271549-A | New intermediate compound for preparing vitamin b6 | DSM IP ASSETS BV | 2015-01-07 | — | — | CN | disclosed |
| US-8722910-B2 | Diyne compositions | EVOLVA AG (CH) | 2014-05-13 | — | — | US | disclosed |
| US-20120196822-A1 | Diyne Compositions | EVOLVA AG (CH) | 2012-08-02 | — | — | US | disclosed |
| WO-2011006061-A1 | DIYNE COMPOSITIONS | EVOLVA SA (CH) | 2011-01-13 | — | — | WO | disclosed |