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 SCHEMBL12614336 | 0.95 | CA2 (0.56) | — | |
| Bicarbonate SCHEMBL16993798 | 0.95 | CA2 (0.56) | — | |
| Bicarbonate SCHEMBL49809 | 0.95 | — | — | |
| Bicarbonate SCHEMBL16993794 | 0.95 | CA2 (0.56) | — | |
| Bicarbonate SCHEMBL49808 | 0.95 | CA2 (0.56) | — | |
| Bicarbonate SCHEMBL7091515 | 0.90 | CA2 (0.50) | — | |
| Acetic Acid SCHEMBL4413742 | 0.86 | — | — | |
| Benzene SCHEMBL27993643 | 0.86 | CA1 (0.46) | — | |
| Acetic Acid SCHEMBL5567779 | 0.80 | FFAR3 (0.70) | — | |
| Acetic Acid SCHEMBL11564713 | 0.80 | FFAR3 (0.70) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2424351-B1 | ANTI-CANCER DRUGS, AND USES RELATING FOR MALIGNANT MELANOMA AND OTHER CANCERS | KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD (IN) | 2015-10-21 | — | — | EP | disclosed |
| US-8143237-B2 | Anti-cancer drugs, and uses relating for malignant melanoma and other cancers | KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (US) | 2012-03-27 | — | — | US | disclosed |
| EP-2424351-A1 | ANTI-CANCER DRUGS, AND USES RELATING FOR MALIGNANT MELANOMA AND OTHER CANCERS | Kasina Laila Innova Pharmaceuticals Private Ltd. (IN) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010125575-A1 | ANTI-CANCER DRUGS, AND USES RELATING FOR MALIGNANT MELANOMA AND OTHER CANCERS | KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) | 2010-11-04 | — | — | WO | disclosed |
| US-20100272678-A1 | ANTI-CANCER DRUGS, AND USES RELATING FOR MALIGNANT MELANOMA AND OTHER CANCERS | KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITE (IN) | 2010-10-28 | — | — | US | disclosed |