Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| 3-Methyl-(E)-2-Butenal SCHEMBL28225138 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TP53TSHR | |
| 3-Methyl-(E)-2-Butenal SCHEMBL16862200 | 0.89 | ALDH1A1 (0.43) | ALDH1A1 | |
| 3-Methyl-(E)-2-Butenal SCHEMBL250376 | 0.89 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL27957860 | 0.86 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL28327622 | 0.86 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL28076322 | 0.86 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL6364571 | 0.86 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL28368643 | 0.86 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL7070357 | 0.85 | TDP1 (0.36) | ALDH1A1TSHR | |
| 3-Methyl-(E)-2-Butenal SCHEMBL28109738 | 0.83 | — | — |
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-4437476-A | Prins reaction products of diisobutylene, derivatives thereof, organoleptic uses thereof and processes for preparing same | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-03-20 | — | — | US | disclosed |
| US-4406810-A | Use of Prins reaction products of diisobutylene in augmenting or enhancing the aroma of detergents | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1983-09-27 | — | — | US | disclosed |
| US-4399063-A | Prins reaction products of diisobutylene, derivatives thereof, organoleptic uses thereof and processes for preparing same | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1983-08-16 | — | — | US | disclosed |
| US-4384007-A | Use in flavors of Prins reaction products of diisobutylene | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1983-05-17 | — | — | US | disclosed |