⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL446609 | 0.69 | — | — | |
| SCHEMBL29016152 | 0.69 | — | — | |
| Ethyne SCHEMBL29270248 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL29012004 | 0.61 | — | — | |
| Benzene SCHEMBL29223410 | 0.58 | CA2 (0.54) | — | |
| SCHEMBL1788357 | 0.58 | LMNA (0.58) | — | |
| Hydrochloric Acid SCHEMBL28889479 | 0.58 | CA2 (0.54) | — | |
| Catechol SCHEMBL29005998 | 0.58 | CA2 (0.54) | — | |
| Bromide SCHEMBL50721 | 0.58 | CA2 (0.54) | — | |
| SCHEMBL16289675 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160181541-A1 | P-doped conjugated small molecular electrolyte and organic electronic devices using the same | GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2016-06-23 | — | — | US | disclosed |