Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Phenol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL6244888 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL7522517 | 0.82 | CYP3A4 (0.46) | — | |
| Hydrochloric Acid SCHEMBL7537348 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL965554 | 0.80 | — | — | |
| SCHEMBL6243280 | 0.78 | — | — | |
| Phenol SCHEMBL5909808 | 0.76 | — | — | |
| Phenol SCHEMBL5909809 | 0.76 | — | — | |
| Phenol SCHEMBL7545345 | 0.76 | — | — | |
| Phenol SCHEMBL7204114 | 0.75 | — | — | |
| Phenol SCHEMBL5909696 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0841375-B1 | Impact-resistant polystyrene resin composition | UBE INDUSTRIES (JP) | 2002-05-22 | — | — | EP | disclosed |
| US-5981667-A | CONTAINING DISPERSED PARTICLES OF HIGH-CIS HIGH-VINYL POLYBUTADIENE COMPRISING FROM 65 TO 95% CIS-1,4-STRUCTURES AND FROM 30 TO 4% 1,2-STRUCTURES | UBE INDUSTRIES, LTD. (JP) | 1999-11-09 | — | — | US | disclosed |
| EP-0841375-A1 | Impact-resistant polystyrene resin composition | UBE INDUSTRIES, LTD. (JP) | 1998-05-13 | — | — | EP | disclosed |