⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9817136 | 0.79 | TSHR (0.57) | — | |
| Tert-Butyl Hydroperoxide SCHEMBL20163 | 0.76 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL6896488 | 0.76 | ALDH1A1 (0.39) | — | |
| Tert-Butyl Hydroperoxide SCHEMBL11312020 | 0.76 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL10352877 | 0.76 | ALDH1A1 (0.39) | — | |
| Tert-Butyl Hydroperoxide SCHEMBL3198636 | 0.76 | ALDH1A1 (0.39) | — | |
| Tert-Butyl Hydroperoxide SCHEMBL3026366 | 0.76 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL9817089 | 0.76 | ALDH1A1 (0.60) | — | |
| SCHEMBL3356662 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL6756409 | 0.71 | TSHR (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0190042-B1 | ORGANIC COMPOUNDS AND THEIR PHARMACEUTICAL USE | Lilly Industries Limited (GB) | 1991-10-30 | — | — | EP | disclosed |
| EP-0314464-B1 | THIOPHENE DERIVATIVES | LILLY INDUSTRIES LIMITED (GB) | 1991-09-04 | — | — | EP | disclosed |
| EP-0186426-B1 | TETRAZOLYL COMPOUNDS AND THEIR PHARMACEUTICAL USE | Lilly Industries Limited (GB) | 1990-09-12 | — | — | EP | disclosed |
| US-4886885-A | Compound containing tetrazolyl groups and their use for treating allergies and cardiovascular disease | LILLY INDUSTRIES LIMITED (GB) | 1989-12-12 | — | — | US | disclosed |
| EP-0314464-A1 | Thiophene derivatives | LILLY INDUSTRIES LIMITED (GB) | 1989-05-03 | — | — | EP | disclosed |
| EP-0190042-A2 | Organic compounds and their pharmaceutical use | Lilly Industries Limited (GB) | 1986-08-06 | — | — | EP | disclosed |
| EP-0186426-A2 | Tetrazolyl compounds and their pharmaceutical use | Lilly Industries Limited (GB) | 1986-07-02 | — | — | EP | disclosed |