⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10752238 | 0.85 | SPHK1 (0.55) | — | |
| SCHEMBL2430442 | 0.80 | — | — | |
| SCHEMBL25660883 | 0.80 | — | — | |
| SCHEMBL28246780 | 0.75 | LMNA (0.41) | — | |
| SCHEMBL10766562 | 0.75 | — | — | |
| SCHEMBL17984947 | 0.75 | — | — | |
| SCHEMBL17813105 | 0.74 | TRPV1 (0.34) | — | |
| SCHEMBL8044698 | 0.74 | TRPV1 (0.39) | — | |
| SCHEMBL18163483 | 0.74 | TRPV1 (0.34) | — | |
| SCHEMBL24354933 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9982005-B2 | Macrolides and methods of their preparation and use | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2018-05-29 | — | — | US | disclosed |
| US-20160326157-A1 | MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2016-11-10 | — | — | US | disclosed |