⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11616249 | 0.81 | TSHR (0.35) | — | |
| SCHEMBL421346 | 0.80 | — | — | |
| SCHEMBL11600016 | 0.77 | — | — | |
| SCHEMBL17288584 | 0.77 | — | — | |
| SCHEMBL11618480 | 0.77 | EPHX1 (0.36) | — | |
| SCHEMBL10332529 | 0.76 | ALDH1A1 (0.44) | — | |
| SCHEMBL17288676 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL125624 | 0.75 | — | — | |
| SCHEMBL11612026 | 0.73 | EPHX1 (0.42) | — | |
| SCHEMBL17288788 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1244376-C | Releasable bond and composition containing the same | ALZA CORP (US) | 2006-03-08 | — | — | CN | disclosed |
| CN-1355713-A | Releasable bond and composition containing the same | ALZA CORP (US) | 2002-06-26 | — | — | CN | disclosed |
| EP-0365149-A2 | Leukotriene antagonist prodrugs | SMITHKLINE BEECHAM CORPORATION (US) | 1990-04-25 | — | — | EP | disclosed |
| US-4410542-A | HYPOTENSIVE AGENTS, PYRROLINE-1,2-DICARBOXYLIC ACID DERIVATIVES | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 1983-10-18 | — | — | US | disclosed |
| US-4347371-A | HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 1982-08-31 | — | — | US | disclosed |
| US-4085094-A | SULFENYLTHIOCARBONATES | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1978-04-18 | — | — | US | disclosed |