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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL28310097 | 1.00 | — | — | |
| Bicarbonate SCHEMBL457108 | 0.94 | — | — | |
| Bicarbonate SCHEMBL7516959 | 0.94 | CA4 (0.46) | — | |
| Bicarbonate SCHEMBL9100985 | 0.94 | CA4 (0.60) | — | |
| Bicarbonate SCHEMBL5888860 | 0.91 | CA4 (0.58) | — | |
| Bicarbonate SCHEMBL23525300 | 0.89 | — | — | |
| Bicarbonate SCHEMBL242846 | 0.89 | — | — | |
| Bicarbonate SCHEMBL16180757 | 0.89 | — | — | |
| Bicarbonate SCHEMBL28835010 | 0.89 | — | — | |
| Bicarbonate SCHEMBL2783217 | 0.89 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107699948-B | Serial composition metal RE borate and composition metal RE borate nonlinear optical crystal and preparation method and purposes | 中国科学院新疆理化技术研究所 | 2019-07-19 | — | — | CN | disclosed |
| US-8299066-B2 | Compounds having NPY Y5 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2012-10-30 | — | — | US | disclosed |
| US-20120130070-A1 | COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2012-05-24 | — | — | US | disclosed |
| US-8129372-B2 | Compounds having NPY Y5 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2012-03-06 | — | — | US | disclosed |
| US-20110028468-A1 | COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY | Shinonogi & Co., Ltd (JP) | 2011-02-03 | — | — | US | disclosed |
| EP-2280000-A1 | COMPOUND HAVING NPY Y5 RECEPTOR ANTAGONIST ACTIVITY | Shionogi&Co., Ltd. (JP) | 2011-02-02 | — | — | EP | disclosed |
| EP-0806417-B1 | Novel optically active benzene derivatives, process for producing the same and liquid-crystalline composition containing said derivatives as liquid-crystalline compound and light switching elements | SUMITOMO CHEMICAL CO (JP) | 2000-03-08 | — | — | EP | disclosed |
| US-5693251-A | LIQUID CRYSTAL DISPLAYS; HIGH SPEED RESPONSE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-12-02 | — | — | US | disclosed |
| EP-0806417-A1 | Novel optically active benzene derivatives, process for producing the same and liquid-crystalline composition containing said derivatives as liquid-crystalline compound and light switching elements | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-11-12 | — | — | EP | disclosed |
| US-5389293-A | Light switches | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1995-02-14 | — | — | US | disclosed |
| EP-0360622-A2 | Novel optically active benzene derivatives, process for producing the same and liquid-crystalline composition containing said derivatives as liquid-crystalline compound and light switching elements | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-03-28 | — | — | EP | disclosed |