⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10721931 | 0.75 | — | — | |
| Nitromethane SCHEMBL28500893 | 0.75 | — | — | |
| SCHEMBL1462445 | 0.72 | — | — | |
| SCHEMBL322189 | 0.72 | — | — | |
| SCHEMBL417089 | 0.72 | — | — | |
| Nitromethane SCHEMBL2786748 | 0.67 | — | — | |
| Nitric Acid SCHEMBL2027210 | 0.67 | — | — | |
| Nitric Acid SCHEMBL7205932 | 0.67 | CA5A (0.80) | — | |
| Nitric Acid SCHEMBL9789211 | 0.67 | — | — | |
| Nitric Acid SCHEMBL7517524 | 0.67 | CA5A (0.80) | — |
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-10351527-B2 | Binding function 3 (BF3) site compounds as therapeutics and methods for their use | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2019-07-16 | — | — | US | disclosed |
| US-20180215687-A1 | SYNTHESIS OF ARYL COMPOUNDS | BOULOS & COOPER PHARMACEUTICALS PTY LTD (AU) | 2018-08-02 | — | — | US | disclosed |
| US-20180215687-A1 | SYNTHESIS OF ARYL COMPOUNDS | BOULOS & COOPER PHARMACEUTICALS PTY LTD (AU) | 2018-08-02 | — | — | US | disclosed |
| US-20180062201-A1 | ELECTROLYTE FORMULATIONS FOR ELECTROCHEMICAL CELLS CONTAINING A SILICON ELECTRODE | HSBC VENTURES USA INC. | 2018-03-01 | — | — | US | disclosed |
| US-20170029372-A1 | BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2017-02-02 | — | — | US | disclosed |
| US-20170029372-A1 | BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2017-02-02 | — | — | US | disclosed |
| WO-2015154169-A1 | BINDING FUNCTION3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2015-10-15 | — | — | WO | disclosed |
| WO-2009124962-A2 | SULFONAMIDES | MERCK SERONO S.A. (CH) | 2009-10-15 | — | — | WO | disclosed |
| EP-0843658-A1 | DIDEPSIPEPTIDE-BASED ENDOPARASITICIDES, NEW DIDEPSIPEPTIDES AND PROCESS FOR PREPARING THE SAME | BAYER AG (DE) | 1998-05-27 | — | — | EP | disclosed |
| US-4119624-A | POLYESTERS | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1978-10-10 | — | — | US | disclosed |