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 SCHEMBL9857994 | 1.00 | — | — | |
| Bicarbonate SCHEMBL16673755 | 0.79 | CA1 (0.50) | — | |
| Bicarbonate SCHEMBL29012214 | 0.79 | — | — | |
| Bicarbonate SCHEMBL18315878 | 0.79 | CA1 (0.50) | — | |
| Bicarbonate SCHEMBL27775306 | 0.79 | CA1 (0.50) | — | |
| Bicarbonate SCHEMBL3917413 | 0.79 | — | — | |
| Bicarbonate SCHEMBL194552 | 0.79 | — | — | |
| Cadaverine Tartrate SCHEMBL27727342 | 0.78 | TSHR (0.56) | — | |
| SCHEMBL283405 | 0.78 | — | — | |
| SCHEMBL913391 | 0.78 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0312658-B1 | METHOD FOR THE PREPARATION OF RIGID NON-CELLULAR REACTION INJECTION MOLDED THERMOSET POLYISOCYANURATE COMPOSITIONS | ARCO CHEMICAL TECHNOLOGY, INC. (US) | 1991-12-27 | — | — | EP | disclosed |
| EP-0304273-B1 | A LAMINATED COMPOSITE OF A RIGID POLYISOCYANURATE SUBSTRATE AND METAL, PLASTIC, CELLULOSE, GLASS, CERAMIC OR COMBINATIONS THEREOF | ARCO CHEMICAL TECHNOLOGY, INC. (US) | 1990-12-05 | — | — | EP | disclosed |
| US-4965038-A | Laminated composite of a rigid polyurethane modified polyisocyanurate substrate an metal, plastic, cellulose, glass, ceramic or combinations thereof | ARCO CHEMICAL TECHNOLOGY, INC. (US) | 1990-10-23 | — | — | US | disclosed |
| US-4886700-A | Laminated composite of a rigid polyurethane modified polyisocyanurate substrate and metal, plastic, cellulose, glass, ceramic or combinations thereof | ARCO CHEMICAL TECHNOLOGY, INC. (US) | 1989-12-12 | — | — | US | disclosed |
| US-4879164-A | Laminated composite of a rigid polyisocyanurate substrate and metal, plastic, cellulose, glass, ceramic or combinations thereof | ARCO CHEMICAL TECHNOLOGY, INC. (US) | 1989-11-07 | — | — | US | disclosed |
| EP-0312658-A1 | Method for the preparation of rigid non-cellular reaction injection molded thermoset polyisocyanurate compositions | ARCO CHEMICAL TECHNOLOGY, INC. (US) | 1989-04-26 | — | — | EP | disclosed |
| EP-0305138-A2 | A laminated composite of a rigid polyurethane modified polyisocyanurate substrate and metal, plastic, cellulose, glass, ceramic or combinations thereof | ARCO Chemical Technology, L.P. (US) | 1989-03-01 | — | — | EP | disclosed |
| EP-0305140-A1 | Method for the preparation of rigid cast or transfer molded thermoset non-cellurar polyurethane modified polyisocyanurate compositions | ARCO Chemical Technology, L.P. (US) | 1989-03-01 | — | — | EP | disclosed |
| EP-0304273-A1 | A laminated composite of a rigid polyisocyanurate substrate and metal, plastic, cellulose, glass, ceramic or combinations thereof | ARCO CHEMICAL TECHNOLOGY, INC. (US) | 1989-02-22 | — | — | EP | disclosed |
| US-4800058-A | MOLDING MATERIAL, POLYETHERURETHANE COPOLYMER | ARCO CHEMICAL COMPANY (US) | 1989-01-24 | — | — | US | disclosed |
| EP-0285431-A2 | Method for the preparation of rigid reaction injection molded thermoset polyurethane modified polyisocyanurate compositions | ARCO Chemical Technology, L.P. (US) | 1988-10-05 | — | — | EP | disclosed |
| US-4757123-A | Molding reaction mixture of organic di- or polyisocyanate, cyclic alkylene carbonate, and adduct of tertiary amine abd cyclic alkylene carbonate as catalyst | ARCO CHEMICAL COMPANY (US) | 1988-07-12 | — | — | US | disclosed |
| US-4731427-A | Method for the preparation of rigid reaction injection molded thermoset polyurethane modified polyisocyanurate compositions | ARCO CHEMICAL COMPANY (US) | 1988-03-15 | — | — | US | disclosed |
| US-4709002-A | ISOCYANATE AND CYCLIC ALKYLENE CARBONATE; MOLD RELEASE | ATLANTIC RICHFIELD COMPANY (US) | 1987-11-24 | — | — | US | disclosed |