⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14999441 | 0.80 | TAAR1 (0.39) | — | |
| SCHEMBL713109 | 0.78 | MRGPRX4 (0.31) | — | |
| Ethylene SCHEMBL27502363 | 0.78 | GABRA1 (0.38) | — | |
| SCHEMBL166573 | 0.78 | GABRA1 (0.41) | — | |
| SCHEMBL29619533 | 0.78 | GABRA1 (0.41) | — | |
| SCHEMBL444139 | 0.77 | MRGPRX4 (0.30) | — | |
| SCHEMBL3626144 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL27539208 | 0.75 | GABRA1 (0.39) | — | |
| SCHEMBL29581467 | 0.75 | NCEH1 (0.41) | — | |
| SCHEMBL2697204 | 0.75 | CTRC (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6673772-B2 | INHIBITING THE ENZYMATIC ACTIVITY OF HIV PROTEASE | SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) | 2004-01-06 | — | — | US | disclosed |
| US-20020049165-A1 | Novel dipeptide compounds and their use as medicines | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2002-04-25 | — | — | US | disclosed |
| EP-1157997-A1 | NOVEL DIPEPTIDE COMPOUND AND MEDICINAL USE THEREOF | JAPAN ENERGY CORPORATION (JP) | 2001-11-28 | — | — | EP | disclosed |