⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3458351 | 0.88 | TAAR1 (0.33) | — | |
| SCHEMBL17529864 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL1223710 | 0.82 | AKT1 (0.33) | — | |
| SCHEMBL50701 | 0.81 | NQO1 (0.35) | — | |
| SCHEMBL20478197 | 0.81 | NQO1 (0.35) | — | |
| SCHEMBL17684937 | 0.81 | CA2 (0.44) | — | |
| SCHEMBL6659875 | 0.81 | — | — | |
| SCHEMBL2945242 | 0.81 | TDP1 (0.40) | — | |
| SCHEMBL8826588 | 0.80 | IDO1 (0.34) | — | |
| SCHEMBL3482503 | 0.79 | TP53 (0.39) | — |
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-5684172-A | REACTING BENZOTHIAZOLYL MORPHOLINYL DISULFIDE WITH A MERCAPTOALKYLALKOXYSILANE | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1997-11-04 | — | — | US | disclosed |