⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3806170 | 1.00 | — | — | |
| SCHEMBL4278304 | 1.00 | — | — | |
| SCHEMBL1135196 | 1.00 | ALDH1A1 (0.42) | — | |
| SCHEMBL861286 | 1.00 | ALDH1A1 (0.42) | — | |
| SCHEMBL1080333 | 1.00 | — | — | |
| Cyclohexane SCHEMBL10618057 | 1.00 | ALDH1A1 (0.42) | — | |
| Cyclopentane SCHEMBL7775480 | 1.00 | ALDH1A1 (0.42) | — | |
| SCHEMBL11125555 | 1.00 | ALDH1A1 (0.42) | — | |
| SCHEMBL5820312 | 1.00 | ALDH1A1 (0.42) | — | |
| SCHEMBL1627428 | 1.00 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013047904-A1 | AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING HARMFUL ARTHROPODS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-04-04 | — | — | WO | disclosed |
| US-20090137580-A1 | Fused Heterocyclic Derivatives and Use Thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-05-28 | — | — | US | disclosed |
| EP-1904498-A1 | FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007004749-A1 | FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-01-11 | — | — | WO | disclosed |