⚠ 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 | |
|---|---|---|---|---|
| Thiourea SCHEMBL15353549 | 0.88 | TSHR (0.75) | — | |
| Thiourea SCHEMBL15353245 | 0.88 | TSHR (0.75) | — | |
| Thiourea SCHEMBL7593798 | 0.88 | — | — | |
| Thiourea SCHEMBL15353197 | 0.88 | TSHR (0.75) | — | |
| Thiourea SCHEMBL1008 | 0.87 | — | — | |
| Thiourea SCHEMBL850383 | 0.87 | — | — | |
| Thiourea SCHEMBL15353290 | 0.82 | TSHR (0.67) | — | |
| Thiourea SCHEMBL619321 | 0.80 | — | — | |
| Thiourea SCHEMBL156287 | 0.80 | — | — | |
| Thiourea SCHEMBL316387 | 0.80 | — | — |
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-5514740-A | SHEET OR FILM HAVING CUPRIC SULFIDE DISPERSED THEREIN | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1996-05-07 | — | — | US | disclosed |