⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4729571 | 0.77 | POLB (0.33) | — | |
| SCHEMBL8486725 | 0.72 | ABCB1 (0.33) | — | |
| SCHEMBL18989643 | 0.71 | — | — | |
| SCHEMBL9978972 | 0.70 | — | — | |
| SCHEMBL7426721 | 0.69 | — | — | |
| SCHEMBL7329442 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL3945997 | 0.68 | — | — | |
| SCHEMBL9214047 | 0.67 | TUBB4A (0.38) | — | |
| SCHEMBL14889066 | 0.67 | — | — | |
| SCHEMBL29460875 | 0.66 | TSHR (0.56) | — |
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-20080242694-A1 | Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith | D SIDOCKY NEIL R | 2008-10-02 | — | — | US | disclosed |
| WO-1999006377-A1 | DERIVATIVES OF 1-((3,3-DIMETHYL-3-SILABUTOXY)METHYL)-2-(PHENYLSULFONYL)IMIDAZOLE | GLIATECH, INC. (US) | 1999-02-11 | — | — | WO | disclosed |