Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Butane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| Butane SCHEMBL483021 | 1.00 | — | — | |
| Butane SCHEMBL2979230 | 0.93 | — | — | |
| Butane SCHEMBL27543855 | 0.93 | — | — | |
| Butane SCHEMBL8412888 | 0.93 | TSHR (0.44) | — | |
| Butane SCHEMBL5129860 | 0.93 | TSHR (0.44) | — | |
| Butane SCHEMBL250788 | 0.93 | — | — | |
| Butane SCHEMBL8463912 | 0.93 | — | — | |
| Butane SCHEMBL9442188 | 0.93 | — | — | |
| Butane SCHEMBL23567204 | 0.86 | — | — | |
| Butane SCHEMBL21562 | 0.86 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4532050-A | Augmenting or enhancing aroma of perfumed fabric softener, dryer sheet or detergent | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1985-07-30 | — | — | US | disclosed |
| US-4517213-A | Flavoring with norbornyl esters | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1985-05-14 | — | — | US | disclosed |
| US-4502494-A | CHEWING TOBACCO | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1985-03-05 | — | — | US | disclosed |
| US-4480648-A | Use of norbornyl esters in augmenting or enhancing the aroma or taste of smoking tobacco compositions and smoking tobacco articles | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-11-06 | — | — | US | disclosed |
| US-4435316-A | ESTERS OF ACRYLIC ACID DERIVATIVES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-03-06 | — | — | US | disclosed |