⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19560670 | 0.73 | — | — | |
| SCHEMBL29574733 | 0.73 | — | — | |
| SCHEMBL17469186 | 0.73 | — | — | |
| SCHEMBL17468851 | 0.73 | — | — | |
| SCHEMBL17469104 | 0.73 | — | — | |
| SCHEMBL17468976 | 0.71 | — | — | |
| SCHEMBL17468946 | 0.69 | POLB (0.31) | — | |
| SCHEMBL17468968 | 0.69 | POLB (0.31) | — | |
| Nitrous Acid SCHEMBL28476081 | 0.67 | KDM4E (0.39) | — | |
| Phorone SCHEMBL23856063 | 0.65 | LMNA (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017161041-A1 | MICROBIAL SYNTHESIS OF ISOPRENOID PRECURSORS, ISOPRENOIDS AND DERIVATIVES INCLUDING PRENYLATED AROMATICS COMPOUNDS | WILLIAM MARSH RICE UNIVERSITY (US) | 2017-09-21 | — | — | WO | disclosed |
| EP-1363909-B1 | TRICYCLIC ANDROGEN RECEPTOR MODULATOR COMPOUNDS | LIGAND PHARM INC (US) | 2016-10-12 | — | — | EP | disclosed |
| WO-2016012362-A1 | SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-01-28 | — | — | WO | disclosed |