⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11023549 | 0.74 | ALDH1A1 (0.53) | — | |
| SCHEMBL9961558 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL10350048 | 0.73 | — | — | |
| SCHEMBL5962279 | 0.73 | — | — | |
| SCHEMBL24540480 | 0.69 | — | — | |
| SCHEMBL119253 | 0.69 | ALDH1A1 (0.55) | — | |
| SCHEMBL4345976 | 0.69 | — | — | |
| SCHEMBL18279841 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL10874998 | 0.69 | — | — | |
| SCHEMBL11815965 | 0.69 | ALDH1A1 (0.48) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10246424-B2 | Substituted quinazoline compounds and methods of use thereof | ARAXES PHARMA LLC (US) | 2019-04-02 | — | — | US | disclosed |
| EP-1956026-B1 | IONIC LIQUID CONTAINING PHOSPHONIUM CATION HAVING P-N BOND AND METHOD FOR PRODUCING SAME | KANTO DENKA KOGYO KK (JP) | 2016-11-30 | — | — | EP | disclosed |
| US-8871974-B2 | Ionic liquid containing phosphonium cation having P—N bond and method for producing same | KANTO DENKA KOGYO CO., LTD. (JP) | 2014-10-28 | — | — | US | disclosed |
| US-20090291921-A1 | INTEGRASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2009-11-26 | — | — | US | disclosed |
| US-20090163394-A1 | IONIC LIQUID CONTAINING PHOSPHONIUM CATION HAVING P-N BOND AND METHOD FOR PRODUCING SAME | KANTO DENKA KOGYO CO., LTD. (JP) | 2009-06-25 | — | — | US | disclosed |
| EP-1956026-A1 | IONIC LIQUID CONTAINING PHOSPHONIUM CATION HAVING P-N BOND AND METHOD FOR PRODUCING SAME | Kanto Denka Kogyo CO., LTD. (JP) | 2008-08-13 | — | — | EP | disclosed |
| US-7253180-B2 | Pre-organized tricyclic integrase inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2007-08-07 | — | — | US | disclosed |