⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17363631 | 0.86 | TSHR (0.41) | — | |
| SCHEMBL100661 | 0.78 | — | — | |
| SCHEMBL3552354 | 0.78 | — | — | |
| SCHEMBL3064100 | 0.74 | — | — | |
| SCHEMBL594273 | 0.74 | — | — | |
| SCHEMBL14034261 | 0.74 | — | — | |
| SCHEMBL7542562 | 0.74 | — | — | |
| SCHEMBL28791283 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL4652990 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL20916316 | 0.70 | ALDH1A1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050066453-A1 | Photochromic dye | NEW PRISMATIC ENTERPRISE CO., LTD. (TW) | 2005-03-31 | — | — | US | disclosed |
| EP-0110267-B1 | WATER-DISPERSABLE POLYESTER, ITS PRODUCTION AND USE AS A HYDROPHILISING AGENT | CASSELLA Aktiengesellschaft (DE) | 1987-09-30 | — | — | EP | disclosed |
| US-4463165-A | COPOLYMER OF AROMATIC DIACID, ALKYLSUCCINIC ACID, DIOL AND POLYETHER | CASSELLA AKTIENGESELLSCHAFT (DE) | 1984-07-31 | — | — | US | disclosed |
| EP-0110267-A2 | Water-dispersable polyester, its production and use as a hydrophilising agent | CASSELLA Aktiengesellschaft (DE) | 1984-06-13 | — | — | EP | disclosed |