⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9500814 | 0.78 | HCAR2 (0.32) | — | |
| SCHEMBL3332911 | 0.78 | — | — | |
| SCHEMBL800000 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL10064026 | 0.78 | ALDH1A1 (0.37) | — | |
| SCHEMBL8335275 | 0.74 | — | — | |
| SCHEMBL17620031 | 0.74 | ALOX15 (0.33) | — | |
| SCHEMBL620922 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL12148045 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL12610959 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL19023993 | 0.71 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230227437-A1 | IMMUNOMODULATOR | HITGEN INC (CN) | 2023-07-20 | — | — | US | disclosed |
| US-9193719-B2 | 1,2,4-triazol-5-ones and analogs exhibiting anti-cancer and anti-proliferative activities | DECIPHERA PHARMACEUTICALS, LLC (US) | 2015-11-24 | — | — | US | disclosed |
| US-20140296252-A1 | 1,2,4-TRIAZOL-5-ONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES | DECIPHERA PHARMACEUTICALS, LLC (US) | 2014-10-02 | — | — | US | disclosed |
| US-8318736-B2 | HIV inhibiting 5,6-substituted pyrimidines | JANSSEN R&D IRELAND (IE) | 2012-11-27 | — | — | US | disclosed |
| US-20100261722-A1 | HIV INHIBITING 5, 6-SUBSTITUTED PYRIMIDINES | TIBOTEC PHARMACEUTICALS LTD. | 2010-10-14 | — | — | US | disclosed |
| US-20090227638-A1 | Novel Pharmaceutical Compounds | BLOUIN MARC | 2009-09-10 | — | — | US | disclosed |
| US-7553973-B2 | Pharmaceutical compounds | MERCK FROSST CANADA LTD. (CA) | 2009-06-30 | — | — | US | disclosed |
| US-20090030048-A1 | Novel pharmaceutical compounds | BLOUIN MARC | 2009-01-29 | — | — | US | disclosed |
| US-20070149579-A1 | Novel pharmaceutical compounds | MERCK CANADA INC. (CA) | 2007-06-28 | — | — | US | disclosed |
| EP-0272110-B1 | ERYTHROMYCIN A DERIVATIVES AND METHOD FOR THE PREPARATION OF THE SAME | TAISHO PHARMACEUTICAL CO. LTD (JP) | 1993-04-07 | — | — | EP | disclosed |
| US-4990602-A | Bactericides | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 1991-02-05 | — | — | US | disclosed |