Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bicarbonate. 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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL8173135 | 0.90 | ACHE (0.33) | — | |
| SCHEMBL8589842 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL8590693 | 0.88 | — | — | |
| SCHEMBL28091 | 0.86 | — | — | |
| Water SCHEMBL1602455 | 0.83 | — | — | |
| SCHEMBL4353618 | 0.83 | — | — | |
| SCHEMBL4353622 | 0.83 | — | — | |
| Bicarbonate SCHEMBL377203 | 0.80 | CA1 (0.36) | — | |
| Methylamine SCHEMBL3659898 | 0.78 | — | — | |
| SCHEMBL2125812 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7005521-B1 | Catalytic compositions and methods for asymmetric allylic alkylation | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2006-02-28 | — | — | US | disclosed |
| US-6747152-B2 | COMPRISES MOLYBDENUM/TUNGSTEN/CHROMIUM COMPLEXES | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY | 2004-06-08 | — | — | US | disclosed |
| US-20030191340-A1 | Catalytic compositions and methods for asymmetric allylic alkylation | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-10-09 | — | — | US | disclosed |
| EP-1049537-B1 | CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALLYLIC ALKYLATION | UNIV LELAND STANFORD JUNIOR (US) | 2003-08-06 | — | — | EP | disclosed |
| US-6541655-B2 | For use in regioselective and enantioselective alkylations of allylic substrates | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY | 2003-04-01 | — | — | US | disclosed |
| US-20020198383-A1 | Catalytic compositions and methods for asymmetric allylic alkylation | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2002-12-26 | — | — | US | disclosed |
| EP-1049537-A2 | CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALLYLIC ALKYLATION | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2000-11-08 | — | — | EP | disclosed |
| US-6130349-A | USING COMPLEX OF MOLYBDENUM, TUNGSTEN OR CHROMIUM WITH 1,1*-BINAPHTHYL SYSTEM CONTAINING HETEROCYCLIC NITROGEN GROUP; ENANTIO- AND REGIOSELECTIVITY | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2000-10-10 | — | — | US | disclosed |
| WO-1999032225-A9 | CATALYTIC COMPOSITION BASED ON CHIRAL LIGANDS WITH MOLYBDENUM, TUNGSTEN OR CHROMIUM AND METHOD FOR ASYMMETRIC ALKYLATION OF ALLYLIC SUBSTRATES | UNIV LELAND STANFORD JUNIOR (US) | 1999-09-30 | — | — | WO | disclosed |
| WO-1999032225-A2 | CATALYTIC COMPOSITION BASED ON CHIRAL LIGANDS WITH MOLYBDENUM, TUNGSTEN OR CHROMIUM AND METHOD FOR ASYMMETRIC ALKYLATION OF ALLYLIC SUBSTRATES | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 1999-07-01 | — | — | WO | disclosed |