⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30384 | 0.77 | — | — | |
| SCHEMBL28931612 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL29217970 | 0.74 | — | — | |
| SCHEMBL7175038 | 0.74 | — | — | |
| SCHEMBL877782 | 0.72 | — | — | |
| SCHEMBL971458 | 0.72 | — | — | |
| SCHEMBL10713374 | 0.72 | — | — | |
| SCHEMBL30887 | 0.72 | — | — | |
| SCHEMBL8769381 | 0.72 | — | — | |
| SCHEMBL10511144 | 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 |
|---|---|---|---|---|---|---|---|
| CN-108025298-B | FCC catalyst additives and binders | 雅宝公司 | 2021-07-06 | — | — | CN | disclosed |
| EP-0642507-B1 | TRANSITION STATE ANALOGUES OF COCAINE, THEIR USE FOR PRODUCING CATALYTIC ANTIBODIES AGAINST COCAINE AND USE OF THE SAME IN DIAGNOSIS AND THERAPY | UNIV COLUMBIA (US) | 2004-02-04 | — | — | EP | disclosed |
| US-6566084-B1 | Detecting hydrolysis of cocaine compound; obtain cocaine mixture, incubate with antibody, monitor generation of benzoic zacid | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2003-05-20 | — | — | US | disclosed |
| US-5990285-A | ANTIBODY CAPABLE OF BINDING A TRANSITION STATE ANALOG FOR THE HYDROLYSIS OF COCAINE BENZOYL ESTER GROUP; TREATMENT OF DRUG ABUSE, DRUG DEPENDENCE, OVERDOSES | THE TRUSTEES OF COLUMBIA UNIVERSITY (US) | 1999-11-23 | — | — | US | disclosed |
| US-5977314-A | ANTIBODY CAPABLE OF CATALYZING THE HYDROLYSIS OF COCAINE AT BENZOYL ESTER GROUP AND AGAINST SPECIFIC STRUCTURAL COMPOUNDS LISTED; FOR DECREASING CONCENTRATION OF COCAINE IN A SUBJECT | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 1999-11-02 | — | — | US | disclosed |
| US-5463028-A | Compound comprising a methyl ecgonine group chemically attached to a phenylphosphonic group which is an analog to an intermediate of the hydrolysis transition-state of a cocaine benzoyl ester group | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 1995-10-31 | — | — | US | disclosed |
| EP-0642507-A4 | CATALYTIC ANTIBODIES AGAINST COCAINE AND METHODS OF USING AND PRODUCING SAME. | — | 1995-03-29 | — | — | EP | disclosed |
| EP-0642507-A1 | CATALYTIC ANTIBODIES AGAINST COCAINE AND METHODS OF USING AND PRODUCING SAME | The Trustees of Columbia University in the City of New York (US) | 1995-03-15 | — | — | EP | disclosed |
| WO-1993020076-A1 | CATALYTIC ANTIBODIES AGAINST COCAINE AND METHODS OF USING AND PRODUCING SAME | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 1993-10-14 | — | — | WO | disclosed |
| EP-0343897-A1 | Seawater-insoluble hydrolysable polymers and marine anti-fouling paint containing them | COURTAULDS COATINGS (HOLDINGS) LIMITED (GB) | 1989-11-29 | — | — | EP | disclosed |