⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL775152 | 0.75 | — | — | |
| SCHEMBL8074380 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL5451362 | 0.69 | — | — | |
| SCHEMBL6700682 | 0.65 | — | — | |
| SCHEMBL20594229 | 0.65 | — | — | |
| SCHEMBL8437759 | 0.65 | TSHR (0.30) | — | |
| SCHEMBL2969320 | 0.65 | — | — | |
| SCHEMBL3940512 | 0.63 | — | — | |
| SCHEMBL20594215 | 0.63 | — | — | |
| SCHEMBL20594220 | 0.63 | — | — |
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-2327704-A1 | RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY | Shionogi&Co., Ltd. (JP) | 2011-06-01 | — | — | EP | disclosed |
| EP-1142882-A9 | ACRYLONITRILE COMPOUNDS | Nissan Chemical Industries, Ltd. (JP) | 2002-10-02 | — | — | EP | disclosed |
| EP-1142882-A1 | ACRYLONITRILE COMPOUNDS | Nissan Chemical Industries, Ltd. (JP) | 2001-10-10 | — | — | EP | disclosed |
| US-6153759-A | HERBICIDE COMPRISING A 5-MEMBERED OR 6-MEMBERED HETEROCYCLIC, SATURATED OR UNSATURATED RADICAL CONTAINING ONE TO THREE HETERO ATOMS SELECTED FROM THE GROUP CONSISTING OF OXYGEN, SULFUR AND NITROGEN | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-28 | — | — | US | disclosed |