⚠ 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 | |
|---|---|---|---|---|
| Thiocyanic Acid SCHEMBL120416 | 1.00 | — | — | |
| Thiocyanic Acid SCHEMBL8910574 | 0.94 | — | — | |
| Thiocyanic Acid SCHEMBL31253501 | 0.94 | — | — | |
| Thiocyanic Acid SCHEMBL15795897 | 0.94 | — | — | |
| Thiocyanic Acid SCHEMBL6232486 | 0.86 | CA1 (0.30) | — | |
| Thiocyanic Acid SCHEMBL4016398 | 0.86 | CA1 (0.30) | — | |
| Thiocyanic Acid SCHEMBL5146104 | 0.86 | CA1 (0.30) | — | |
| Thiocyanic Acid SCHEMBL42005 | 0.86 | CA1 (0.30) | — | |
| Thiocyanic Acid SCHEMBL3862606 | 0.86 | CA1 (0.30) | — | |
| Thiocyanic Acid SCHEMBL11509407 | 0.86 | — | — |
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-7964790-B2 | Dye for photoelectric device and photoelectric device comprising the dye | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2011-06-21 | — | — | US | disclosed |
| US-20080110496-A1 | DYE FOR PHOTOELECTRIC DEVICE AND PHOTOELECTRIC DEVICE COMPRISING THE DYE | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2008-05-15 | — | — | US | disclosed |