⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5598796 | 0.86 | ESR1 (0.33) | — | |
| SCHEMBL28899530 | 0.81 | ESR1 (0.34) | — | |
| SCHEMBL1021604 | 0.78 | GABRA1 (0.47) | — | |
| SCHEMBL8752281 | 0.71 | MYC (0.36) | — | |
| SCHEMBL2028661 | 0.71 | HPGD (0.43) | — | |
| SCHEMBL16308021 | 0.71 | KDM4E (0.40) | — | |
| SCHEMBL194133 | 0.71 | KDM4E (0.40) | — | |
| SCHEMBL7091649 | 0.69 | — | — | |
| SCHEMBL6908881 | 0.67 | ADRB1 (0.43) | — | |
| SCHEMBL11559290 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2513281-A1 | GEL-FORM PREPARATIONS | Cognis IP Management GmbH (DE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011082751-A1 | GEL-FORM PREPARATIONS | COGNIS IP MANAGEMENT GMBH (DE) | 2011-07-14 | — | — | WO | disclosed |