⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5161315 | 1.00 | — | — | |
| SCHEMBL866944 | 1.00 | — | — | |
| Ethane SCHEMBL6373268 | 0.97 | THRB (0.38) | — | |
| SCHEMBL31033494 | 0.84 | TP53 (0.39) | — | |
| SCHEMBL14198222 | 0.83 | ALDH1A1 (0.43) | — | |
| SCHEMBL620984 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL5186832 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL620986 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL620985 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL5907071 | 0.81 | THRB (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116940552-A | Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors | 法国施维雅药厂 | 2023-10-24 | — | — | CN | disclosed |
| US-8309738-B2 | Methods for the preparation of thiazolidinethione indene-based chiral auxiliaries | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2012-11-13 | — | — | US | disclosed |
| US-20100179330-A1 | Methods for the Preparation of Thiazolidinethione Indene-Based Chiral Auxiliaries | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2010-07-15 | — | — | US | disclosed |