Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. 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 | |
|---|---|---|---|---|
| SCHEMBL4965215 | 0.98 | NUDT1 (0.30) | — | |
| 2,6-Diaminopurine SCHEMBL2316818 | 0.74 | KDM4E (0.32) | — | |
| Hydrochloric Acid SCHEMBL7207981 | 0.71 | — | — | |
| 6-Chloroguanine SCHEMBL3268234 | 0.71 | MMP12 (0.33) | — | |
| SCHEMBL3269477 | 0.67 | L3MBTL1 (0.35) | — | |
| SCHEMBL4110629 | 0.67 | TYMS (0.32) | — | |
| SCHEMBL3273300 | 0.63 | CCR1 (0.42) | — | |
| SCHEMBL3269217 | 0.63 | ADORA2A (0.35) | — | |
| SCHEMBL3268785 | 0.62 | KDM4E (0.38) | — | |
| SCHEMBL3269209 | 0.62 | HPGDS (0.38) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0702683-B1 | 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS | CANCER REC TECH LTD (GB) | 2003-09-17 | — | — | EP | claimed |
| US-6043228-A | O6 -substituted guanine derivatives, a process for their preparation and their use in treating tumor cells | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2000-03-28 | — | — | US | claimed |
| WO-1994029312-A1 | O6-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1994-12-22 | — | — | WO | claimed |
| US-6096724-A | O(6)-ALKYLGUANINE-DNA ALKYLTRANSFERASE (ATASE) ENZYME INHIBITORS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2000-08-01 | — | — | US | disclosed |
| US-6043228-A | O6 -substituted guanine derivatives, a process for their preparation and their use in treating tumor cells | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2000-03-28 | — | — | US | disclosed |
| WO-2000002861-A1 | A3 ADENOSINE RECEPTOR ANTAGONISTS | THE UNITED STATES OF AMERICA, REPRESENTED BY SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2000-01-20 | — | — | WO | disclosed |
| US-5929046-A | Pyrimidine and purine derivatives and their use in treating tumour cells | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1999-07-27 | — | — | US | disclosed |
| EP-0874848-A1 | PYRIMIDINE DERIVATIVES AND GUANINE DERIVATIVES, AND THEIR USE IN TREATING TUMOUR CELLS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997020843-A1 | PYRIMIDINE DERIVATIVES AND GUANINE DERIVATIVES, AND THEIR USE IN TREATING TUMOUR CELLS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1997-06-12 | — | — | WO | disclosed |
| WO-1994029312-A1 | O6-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1994-12-22 | — | — | WO | disclosed |