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 | |
|---|---|---|---|---|
| SCHEMBL6906542 | 0.96 | — | — | |
| Bromide SCHEMBL6652493 | 0.92 | — | — | |
| SCHEMBL27285776 | 0.79 | TSHR (0.36) | — | |
| Phosphoric Acid SCHEMBL17969452 | 0.78 | LAP3 (0.40) | — | |
| SCHEMBL4251011 | 0.76 | — | — | |
| SCHEMBL4251418 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28478970 | 0.73 | DNM1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL28467736 | 0.73 | DNM1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL28336675 | 0.73 | DNM1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL29078674 | 0.73 | DNM1 (0.42) | — |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102775345-A | Preparation method of roflumilast and intermediates | TOPHARMAN SHANGHAI CO LTD | 2012-11-14 | — | — | CN | claimed |
| US-20070129549-A1 | Stable lamotrigine pharmaceutical compositions and processes for their preparation | RANBAXY LABORATORIES LIMITED (IN) | 2007-06-07 | — | — | US | claimed |
| EP-1670742-A1 | PROCESS FOR THE PREPARATION OF ROFLUMILAST | Ranbaxy Laboratories Limited (IN) | 2006-06-21 | — | — | EP | claimed |
| EP-1608371-A1 | PROCESS FOR THE PREPARATION OF DONEPEZIL AND DERIVATIVES THEREOF | RANBAXY LABORATORIES, LTD. (IN) | 2005-12-28 | — | — | EP | claimed |
| WO-2005026095-A1 | PROCESS FOR THE PREPARATION OF ROFLUMILAST | RANBAXY LABORATORIES LIMITED (IN) | 2005-03-24 | — | — | WO | claimed |
| WO-2004082685-A1 | PROCESS FOR THE PREPARATION OF DONEPEZIL AND DERIVATIVES THEREOF | RANBAXY LABORATORIES LIMITED (IN) | 2004-09-30 | — | — | WO | claimed |
| US-10426770-B2 | Process for the preparation of Lurasidone hydrochloride | Jubilant Generics Limited (IN) | 2019-10-01 | — | — | US | disclosed |
| US-20170246165-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF LURASIDONE HYDROCHLORIDE | Jubilant Generics Limited (IN) | 2017-08-31 | — | — | US | disclosed |
| EP-3207041-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF LURASIDONE HYDROCHLORIDE | Jubilant Generics Limited (Formerly Jubilant Life Sciences Division) (IN) | 2017-08-23 | — | — | EP | disclosed |
| WO-2016059649-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF LURASIDONE HYDROCHLORIDE | JUBILANT GENERICS LIMITED (FORMERLY JUBILANT LIFE SCIENCES DIVISION) (IN) | 2016-04-21 | — | — | WO | disclosed |
| CN-102775345-A | Preparation method of roflumilast and intermediates | TOPHARMAN SHANGHAI CO LTD | 2012-11-14 | — | — | CN | disclosed |
| US-20070129549-A1 | Stable lamotrigine pharmaceutical compositions and processes for their preparation | RANBAXY LABORATORIES LIMITED (IN) | 2007-06-07 | — | — | US | disclosed |
| EP-1670742-A1 | PROCESS FOR THE PREPARATION OF ROFLUMILAST | Ranbaxy Laboratories Limited (IN) | 2006-06-21 | — | — | EP | disclosed |
| US-20020058844-A1 | Process for producing retinol and intermediate compounds for producing the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-05-16 | — | — | US | disclosed |
| US-6388124-B2 | CHEMICAL INTERMEDIATE FOR VITAMIN A ACETATE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-05-14 | — | — | US | disclosed |
| EP-1199303-A1 | Process for producing retinol and intermediate compounds for producing the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-04-24 | — | — | EP | disclosed |
| US-6348622-B1 | CHEMICAL INTERMEDIATES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-02-19 | — | — | US | disclosed |
| US-20010025127-A1 | Dihalo-compound and process for producing vitamin A derivative | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 2001-09-27 | — | — | US | disclosed |
| EP-1120398-A2 | Dihalo-compound and process for producing vitamin A derivative | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2001-08-01 | — | — | EP | disclosed |
| EP-0900785-A2 | Vitamin A related compounds and process for producing the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1999-03-10 | — | — | EP | disclosed |