Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Butadiene. 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL5842413 | 1.00 | — | — | |
| Butadiene SCHEMBL11854764 | 0.91 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL10457929 | 0.91 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL250 | 0.91 | — | — | |
| Butadiene SCHEMBL461643 | 0.91 | — | — | |
| Butadiene SCHEMBL11480793 | 0.91 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL23406461 | 0.83 | — | — | |
| Butadiene SCHEMBL3122214 | 0.83 | — | — | |
| Butadiene SCHEMBL8514023 | 0.83 | — | — | |
| Butadiene SCHEMBL9155634 | 0.83 | TRPA1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109790269-B | Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer | 旭化成株式会社 | 2022-06-14 | — | — | CN | disclosed |
| CN-109803992-B | Isocyanate composition and method for producing isocyanate polymer | 旭化成株式会社 | 2022-05-24 | — | — | CN | disclosed |
| CN-107963982-B | Polyisocyanate composition and isocyanate polymer composition | 旭化成株式会社 | 2021-11-12 | — | — | CN | disclosed |
| CN-112979917-A | Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer | 旭化成株式会社 | 2021-06-18 | — | — | CN | disclosed |