⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21325067 | 0.80 | — | — | |
| SCHEMBL21350865 | 0.77 | NOS3 (0.30) | — | |
| SCHEMBL47578 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL16019424 | 0.68 | TRPV4 (0.34) | — | |
| SCHEMBL15298560 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL12668141 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL19833132 | 0.65 | ESR1 (0.34) | — | |
| SCHEMBL85669 | 0.64 | CYP19A1 (0.43) | — | |
| SCHEMBL20203325 | 0.64 | — | — | |
| SCHEMBL18401507 | 0.63 | TSHR (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8330039-B2 | Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound | E I DU PONT DE NEMOURS AND COMPANY (US) | 2012-12-11 | — | — | US | disclosed |
| US-20100180947-A1 | SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-07-22 | — | — | US | disclosed |