⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6738669 | 0.64 | — | — | |
| SCHEMBL12126628 | 0.61 | — | — | |
| SCHEMBL6125031 | 0.57 | — | — | |
| SCHEMBL13742503 | 0.53 | — | — | |
| SCHEMBL23823168 | 0.53 | — | — | |
| SCHEMBL21614113 | 0.50 | — | — | |
| Cyclohexane SCHEMBL3164808 | 0.47 | — | — | |
| SCHEMBL30513306 | 0.47 | ALDH1A1 (0.30) | — | |
| SCHEMBL29613923 | 0.47 | ALDH1A1 (0.30) | — | |
| SCHEMBL7228266 | 0.47 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3219812-A1 | HYBRIDIZATION COMPOSITIONS AND METHODS | Dako Denmark A/S (DK) | 2017-09-20 | — | — | EP | disclosed |
| EP-3016196-B1 | ELECTROLYTE FOR RECHARGEABLE LITHIUM BATTERY AND RECHARGEABLE LITHIUM BATTERY INCLUDING THE SAME | SAMSUNG SDI CO LTD (KR) | 2017-06-14 | — | — | EP | disclosed |
| US-20110301123-A1 | Fungicidal Heterocyclic Amines | E.I. DU PONT NEMOURS AND COMPANY (US) | 2011-12-08 | — | — | US | disclosed |
| US-8026359-B2 | Fungicidal heterocyclic amines | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-09-27 | — | — | US | disclosed |
| US-20100267729-A1 | FUNGICIDAL HETEROCYCLIC AMINES | E.I. DU PONT DE NEMOURS AND COMPANY (DE) | 2010-10-21 | — | — | US | disclosed |
| WO-2010034003-A2 | BENZYLTHIOTETRAZOLE INHIBITORS OF STORE OPERATED CALCIUM RELEASE | CALCIMEDICA, INC. (US) | 2010-03-25 | — | — | WO | disclosed |