Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL297281 | 0.88 | ESR1 (0.56) | ESR1ESR2CA1CA2 | |
| SCHEMBL299794 | 0.88 | ESR1 (0.56) | ESR1ESR2CA1CA2 | |
| SCHEMBL6262697 | 0.86 | ESR1 (0.39) | ESR1ESR2 | |
| SCHEMBL6258466 | 0.83 | ESR1 (0.50) | ESR1ESR2 | |
| SCHEMBL7064600 | 0.83 | ESR1 (0.51) | ESR1ESR2CA1CA2 | |
| SCHEMBL7065992 | 0.83 | ESR1 (0.51) | ESR1ESR2CA1CA2 | |
| SCHEMBL298278 | 0.82 | ESR1 (0.50) | ESR1ESR2CA1CA2 | |
| SCHEMBL297898 | 0.82 | ESR1 (0.50) | ESR1ESR2CA1CA2 | |
| SCHEMBL297177 | 0.82 | ESR1 (0.50) | ESR1ESR2CA1CA2 | |
| SCHEMBL298231 | 0.82 | ESR1 (0.50) | ESR1ESR2CA1CA2 |
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-6284931-B1 | REACTION OF 3,3,5-TRIMETHYLCYCLOHEXANONE AND PHENOL TO FORM DIPHENOL DERIVATIVE | HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) | 2001-09-04 | — | — | US | disclosed |
| EP-0995737-A1 | Process for producing 3,3,5-trimethylcyclohexylidenebisphenols | Honshu Chemical Industry Co. Ltd. (JP) | 2000-04-26 | — | — | EP | disclosed |