⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11613178 | 0.80 | ESR1 (0.41) | — | |
| SCHEMBL11608118 | 0.74 | KMT2A (0.41) | — | |
| SCHEMBL11605390 | 0.74 | CA1 (0.39) | — | |
| SCHEMBL11609583 | 0.73 | CYP2C9 (0.33) | — | |
| SCHEMBL11612413 | 0.70 | THRB (0.34) | — | |
| SCHEMBL11611042 | 0.70 | MEN1 (0.43) | — | |
| SCHEMBL9108516 | 0.68 | GLRA3 (0.45) | — | |
| SCHEMBL11609585 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL11607189 | 0.66 | IDO1 (0.41) | — | |
| SCHEMBL11612131 | 0.66 | CHRNB4 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4083989-A | MORPHOGENETIC HORMONAL MIMETIC ACTIVITY | CHEVRON RESEARCH COMPANY (US) | 1978-04-11 | — | — | US | disclosed |
| US-3988471-A | Insect control employing certain benzoates | CHEVRON RESEARCH COMPANY (US) | 1976-10-26 | — | — | US | disclosed |