⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9862588 | 0.86 | ESR1 (0.33) | — | |
| SCHEMBL10451506 | 0.73 | HTR5A (0.33) | — | |
| SCHEMBL10639909 | 0.64 | ESR1 (0.35) | — | |
| SCHEMBL9862532 | 0.62 | ESR1 (0.42) | — | |
| SCHEMBL10672680 | 0.59 | — | — | |
| SCHEMBL5358039 | 0.58 | ESR1 (0.39) | — | |
| SCHEMBL5358409 | 0.58 | ESR1 (0.36) | — | |
| SCHEMBL5359670 | 0.57 | ESR1 (0.37) | — | |
| SCHEMBL5359563 | 0.57 | ESR1 (0.35) | — | |
| SCHEMBL5367335 | 0.57 | ESR1 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4760061-A | Antioestrogenic agent | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-07-26 | — | — | US | disclosed |