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 | |
|---|---|---|---|---|
| Perflubutane SCHEMBL28317742 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL12098029 | 0.69 | APEX1 (0.30) | — | |
| SCHEMBL3863751 | 0.65 | — | — | |
| SCHEMBL6536511 | 0.63 | — | — | |
| Bromide SCHEMBL12098000 | 0.63 | MEN1 (0.30) | — | |
| SCHEMBL332765 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL4598456 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL4599541 | 0.59 | LMNA (0.32) | — | |
| SCHEMBL22624203 | 0.59 | — | — | |
| SCHEMBL1768648 | 0.59 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453896-B1 | PROCESS FOR MODIFYING A POLYMERIC SURFACE | 3M INNOVATIVE PROPERTIES CO (US) | 2008-04-09 | — | — | EP | disclosed |
| EP-1461376-B1 | IMPROVED PROCESS FOR MODIFYING A POLYMERIC SURFACE | 3M INNOVATIVE PROPERTIES CO (US) | 2006-12-20 | — | — | EP | disclosed |
| US-6844030-B2 | Process for modifying a polymeric surface | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2005-01-18 | — | — | US | disclosed |
| US-20040126708-A1 | Digitally applying a photoreactive material comprising photochemical electron donor exposing to actinic radiation | 3M INNOVATIVE PROPERTIES COMPANY | 2004-07-01 | — | — | US | disclosed |
| US-6752894-B2 | EXPOSURE TO ACTINIC RADIATION; DISCOLORATION INHIBITION; OXIDATION RESISTANCE | 3M INNOVATIVE PROPERTIES COMPANY | 2004-06-22 | — | — | US | disclosed |
| US-20030159915-A1 | Process for modifying a polymeric surface | 3M INNOVATIVE PROPERTIES COMPANY | 2003-08-28 | — | — | US | disclosed |
| US-20030162022-A1 | Process for modifying a polymeric surface | 3M INNOVATIVE PROPERTIES COMPANY | 2003-08-28 | — | — | US | disclosed |