Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Phosphine. 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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL9062633 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL11058934 | 0.82 | KDM3A (0.50) | — | |
| Hydrochloric Acid SCHEMBL24279 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL10409847 | 0.82 | KDM3A (0.50) | — | |
| Hydrochloric Acid SCHEMBL8845531 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL10772341 | 0.82 | KDM3A (0.50) | — | |
| Hydrochloric Acid SCHEMBL6939511 | 0.82 | KDM3A (0.50) | — | |
| Hydrochloric Acid SCHEMBL8855133 | 0.82 | KDM3A (0.50) | — | |
| Hydrochloric Acid SCHEMBL10408499 | 0.82 | KDM3A (0.50) | — | |
| Hydrochloric Acid SCHEMBL4945487 | 0.82 | KDM3A (0.50) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7507830-B2 | Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles | PHARMACORE, INC. (US) | 2009-03-24 | — | — | US | disclosed |
| US-6962999-B2 | Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles | PHARMACORE, INC. (US) | 2005-11-08 | — | — | US | disclosed |
| US-20050124808-A1 | Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles | DSM I.P. ASSETS B.V. (NL) | 2005-06-09 | — | — | US | disclosed |
| US-20030100760-A1 | Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles | DSM N.V. (NL) | 2003-05-29 | — | — | US | disclosed |
| EP-1279656-A2 | Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles | DSM N.V. (NL) | 2003-01-29 | — | — | EP | disclosed |
| US-6194599-B1 | Process for preparing biaryl compounds | CATALYTICA, INC. | 2001-02-27 | — | — | US | disclosed |