⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20275584 | 0.88 | KDM4E (0.32) | — | |
| SCHEMBL24064819 | 0.82 | ESR1 (0.36) | — | |
| SCHEMBL19055996 | 0.78 | — | — | |
| SCHEMBL17858281 | 0.78 | — | — | |
| SCHEMBL19909872 | 0.78 | — | — | |
| SCHEMBL16487875 | 0.78 | GRIN2D (0.32) | — | |
| SCHEMBL21884286 | 0.78 | ALPL (0.35) | — | |
| SCHEMBL19251207 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL3085426 | 0.77 | GRIN2D (0.31) | — | |
| Hydrochloric Acid SCHEMBL3085428 | 0.77 | GRIN2D (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140148623-A1 | FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES | DANISCO US INC. (US) | 2014-05-29 | — | — | US | disclosed |
| US-8450549-B2 | Fuel compositions comprising isoprene derivatives | DANISCO US INC. (US) | 2013-05-28 | — | — | US | disclosed |
| US-20110046422-A1 | FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES | DANISCO US INC. | 2011-02-24 | — | — | US | disclosed |