⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10399029 | 1.00 | — | — | |
| SCHEMBL134414 | 0.78 | — | — | |
| SCHEMBL18513525 | 0.67 | — | — | |
| Bicarbonate SCHEMBL8900312 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL15352236 | 0.67 | — | — | |
| SCHEMBL15352239 | 0.67 | — | — | |
| SCHEMBL7466580 | 0.65 | — | — | |
| SCHEMBL95643 | 0.65 | — | — | |
| SCHEMBL95644 | 0.65 | — | — | |
| SCHEMBL10400771 | 0.65 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4914116-A | Nitrogen-containing heterocyclic compounds, and their use as insecticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-04-03 | — | — | US | disclosed |
| US-4714706-A | JUVENILE HORMONE INHIBITORS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1987-12-22 | — | — | US | disclosed |
| EP-0203798-A2 | Nitrogen-containing heterocyclic compounds, and their production and use | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1986-12-03 | — | — | EP | disclosed |
| US-4587354-A | CYCLIC ORGANOPOLYSILOXANE WITH A 3,3,3-TRIFLUOROPROPYL GROUP AND ALKENYLOXY GROUPS | SHIN-ETSU CHEMICAL, CO., LTD. (JP) | 1986-05-06 | — | — | US | disclosed |
| US-4497943-A | GUANIDYL ORGANO SILANE OR POLYSILOXANE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1985-02-05 | — | — | US | disclosed |