⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18816164 | 0.97 | FDPS (0.33) | — | |
| SCHEMBL1461363 | 0.97 | FDPS (0.33) | — | |
| SCHEMBL11326602 | 0.87 | — | — | |
| SCHEMBL1276850 | 0.75 | — | — | |
| SCHEMBL435747 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL3306180 | 0.73 | — | — | |
| SCHEMBL1276571 | 0.73 | FDPS (0.33) | — | |
| SCHEMBL7259534 | 0.73 | FDPS (0.33) | — | |
| SCHEMBL10845879 | 0.73 | FDPS (0.33) | — | |
| SCHEMBL3310957 | 0.71 | FDPS (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9975844-B2 | Method for producing nitro compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2018-05-22 | — | — | US | disclosed |
| US-9822061-B2 | Method for producing nitro compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-11-21 | — | — | US | disclosed |
| US-20170144961-A1 | METHOD FOR PRODUCING NITRO COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-05-25 | — | — | US | disclosed |
| US-20170129846-A1 | METHOD FOR PRODUCING NITRO COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-05-11 | — | — | US | disclosed |