⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9876139 | 0.83 | KDM5A (0.35) | — | |
| SCHEMBL27940968 | 0.82 | HMGCR (0.30) | — | |
| SCHEMBL27922436 | 0.79 | HMGCR (0.31) | — | |
| SCHEMBL18250318 | 0.77 | KDM5A (0.32) | — | |
| SCHEMBL18250281 | 0.74 | PSEN1 (0.31) | — | |
| SCHEMBL24936219 | 0.72 | WDR5 (0.36) | — | |
| SCHEMBL27940974 | 0.71 | CPA1 (0.31) | — | |
| SCHEMBL18199171 | 0.68 | KDM5A (0.33) | — | |
| SCHEMBL14417138 | 0.68 | KDM5A (0.36) | — | |
| SCHEMBL443058 | 0.67 | CYP2C9 (0.39) | — |
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-9644005-B2 | Didemnin biosynthetic gene cluster in Tistrella mobilis | KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) | 2017-05-09 | — | — | US | disclosed |
| CN-103361630-A | Group 2 imidazolate formulations for direct liquid injection | AIR PROD & CHEM | 2013-10-23 | — | — | CN | disclosed |