⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1450693 | 0.84 | TSHR (0.32) | — | |
| SCHEMBL30420102 | 0.82 | TSHR (0.30) | — | |
| SCHEMBL8651465 | 0.82 | TSHR (0.30) | — | |
| SCHEMBL8650102 | 0.77 | — | — | |
| Carbon Monoxide SCHEMBL8649579 | 0.75 | — | — | |
| Carbon Monoxide SCHEMBL8652271 | 0.75 | — | — | |
| SCHEMBL8651540 | 0.75 | — | — | |
| SCHEMBL301586 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL5696558 | 0.72 | — | — | |
| SCHEMBL11301061 | 0.69 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5179145-A | Containing an epoxysilane and organic phosphite; molding materials; improved mechanical properties | PHILLIPS PETROLEUM COMPANY (US) | 1993-01-12 | — | — | US | disclosed |
| US-4992497-A | Glass filled poly(arylene sulfide) compositions and methods | PHILLIPS PETROLEUM COMPANY (US) | 1991-02-12 | — | — | US | disclosed |
| EP-0392472-A2 | Glass-filled poly (arylene sulfide) compositions and methods | PHILLIPS PETROLEUM COMPANY (US) | 1990-10-17 | — | — | EP | disclosed |