⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7932165 | 0.77 | — | — | |
| SCHEMBL10200208 | 0.75 | — | — | |
| SCHEMBL5276561 | 0.75 | — | — | |
| SCHEMBL851824 | 0.75 | — | — | |
| Bromide SCHEMBL8605247 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL849818 | 0.73 | — | — | |
| SCHEMBL10928142 | 0.71 | — | — | |
| SCHEMBL7531091 | 0.71 | — | — | |
| SCHEMBL11960812 | 0.69 | ALDH1A1 (0.37) | — | |
| 4-Isothioureidobutyronitrile SCHEMBL20607675 | 0.69 | CYP1A2 (0.50) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5741501-A | Para-hydroxyphenylacetic acid for reducing the repellency of insecticides | BAYER AKTIENGESELLSCHAFT (DE) | 1998-04-21 | — | — | US | claimed |
| US-5741501-A | Para-hydroxyphenylacetic acid for reducing the repellency of insecticides | BAYER AKTIENGESELLSCHAFT (DE) | 1998-04-21 | — | — | US | disclosed |
| US-4783474-A | INSECTICIDES, HERBICIDES, SYNERGISTIC | BAYER AKTIENGESELLSCHAFT (DE) | 1988-11-08 | — | — | US | disclosed |
| US-4678777-A | SYNERGISTS | BAYER AKTIENGESELLSCHAFT (DE) | 1987-07-07 | — | — | US | disclosed |
| US-4609648-A | SYNERGISTS FOR ARTHROPODICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1986-09-02 | — | — | US | disclosed |
| US-4609646-A | INSECTICIDES, MITICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1986-09-02 | — | — | US | disclosed |
| US-4473558-A | MITICIDES, INSECTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1984-09-25 | — | — | US | disclosed |
| US-4387060-A | PESTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1983-06-07 | — | — | US | disclosed |