⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16579439 | 0.88 | OPRM1 (0.48) | — | |
| SCHEMBL3195361 | 0.81 | DNM1 (0.41) | — | |
| SCHEMBL17024458 | 0.77 | — | — | |
| SCHEMBL3481925 | 0.77 | — | — | |
| SCHEMBL3482159 | 0.77 | — | — | |
| SCHEMBL537515 | 0.71 | — | — | |
| SCHEMBL8384110 | 0.69 | — | — | |
| SCHEMBL3185161 | 0.69 | DNM1 (0.47) | — | |
| SCHEMBL22345156 | 0.69 | DNM1 (0.47) | — | |
| SCHEMBL38853 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6617466-B1 | Having a heteroatom ligand containing an element with a coordination number of three from Group V A or a coordination number of two from Group VI A attached to the ring through a hydrocarbylene, silane or germanium group | EXXONMOBIL CHEMICAL PATENTS INC. | 2003-09-09 | — | — | US | disclosed |