⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9998933 | 0.70 | — | — | |
| SCHEMBL12087942 | 0.68 | USP2 (0.33) | — | |
| SCHEMBL15418547 | 0.67 | — | — | |
| SCHEMBL149482 | 0.66 | — | — | |
| SCHEMBL18231428 | 0.63 | — | — | |
| SCHEMBL15418789 | 0.61 | NFKB1 (0.41) | — | |
| SCHEMBL18677010 | 0.59 | — | — | |
| SCHEMBL5864292 | 0.59 | — | — | |
| SCHEMBL16582928 | 0.58 | FYN (0.44) | — | |
| SCHEMBL910752 | 0.57 | — | — |
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-9718788-B2 | Heteroaryl compounds useful as inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-08-01 | — | — | US | disclosed |
| US-9150525-B2 | Heteroaryl compounds useful as inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-10-06 | — | — | US | disclosed |