⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9744910 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL5201527 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL9787382 | 0.69 | — | — | |
| SCHEMBL4557568 | 0.63 | — | — | |
| SCHEMBL28663623 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL8811482 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL28149798 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL21750 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL28148672 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL9738160 | 0.60 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0187739-B1 | 9-THIABICYCLONONANEDIISOCYANATES AND POLYMERS PREPARED THEREFROM | THE DOW CHEMICAL COMPANY (US) | 1988-03-23 | — | — | EP | claimed |
| EP-0187739-A4 | 9-THIABICYCLONONANEDIISOCYANATES AND POLYMERS PREPARED THEREFROM. | DOW CHEMICAL CO (US) | 1986-11-05 | — | — | EP | claimed |
| EP-0187739-A1 | 9-THIABICYCLONONANEDIISOCYANATES AND POLYMERS PREPARED THEREFROM. | DOW CHEMICAL CO (US) | 1986-07-23 | — | — | EP | claimed |
| WO-1986000318-A1 | 9-THIABICYCLONONANEDIISOCYANATES AND POLYMERS PREPARED THEREFROM | THE DOW CHEMICAL COMPANY (US) | 1986-01-16 | — | — | WO | claimed |
| EP-0187739-B1 | 9-THIABICYCLONONANEDIISOCYANATES AND POLYMERS PREPARED THEREFROM | THE DOW CHEMICAL COMPANY (US) | 1988-03-23 | — | — | EP | disclosed |
| EP-0187739-B1 | 9-THIABICYCLONONANEDIISOCYANATES AND POLYMERS PREPARED THEREFROM | THE DOW CHEMICAL COMPANY (US) | 1988-03-23 | — | — | EP | disclosed |
| EP-0187739-A4 | 9-THIABICYCLONONANEDIISOCYANATES AND POLYMERS PREPARED THEREFROM. | DOW CHEMICAL CO (US) | 1986-11-05 | — | — | EP | disclosed |
| EP-0187739-A4 | 9-THIABICYCLONONANEDIISOCYANATES AND POLYMERS PREPARED THEREFROM. | DOW CHEMICAL CO (US) | 1986-11-05 | — | — | EP | disclosed |
| EP-0187739-A1 | 9-THIABICYCLONONANEDIISOCYANATES AND POLYMERS PREPARED THEREFROM. | DOW CHEMICAL CO (US) | 1986-07-23 | — | — | EP | disclosed |
| EP-0187739-A1 | 9-THIABICYCLONONANEDIISOCYANATES AND POLYMERS PREPARED THEREFROM. | DOW CHEMICAL CO (US) | 1986-07-23 | — | — | EP | disclosed |
| WO-1986000318-A1 | 9-THIABICYCLONONANEDIISOCYANATES AND POLYMERS PREPARED THEREFROM | THE DOW CHEMICAL COMPANY (US) | 1986-01-16 | — | — | WO | disclosed |
| WO-1986000318-A1 | 9-THIABICYCLONONANEDIISOCYANATES AND POLYMERS PREPARED THEREFROM | THE DOW CHEMICAL COMPANY (US) | 1986-01-16 | — | — | WO | disclosed |
| US-4458061-A | 9-Thiabicyclononanediisocyanates and polymers made therefrom | THE DOW CHEMICAL COMPANY (US) | 1984-07-03 | — | — | US | disclosed |
| US-4458061-A | 9-Thiabicyclononanediisocyanates and polymers made therefrom | THE DOW CHEMICAL COMPANY (US) | 1984-07-03 | — | — | US | disclosed |