⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23169946 | 1.00 | — | — | |
| SCHEMBL13160144 | 1.00 | — | — | |
| SCHEMBL22114407 | 0.80 | — | — | |
| SCHEMBL17613236 | 0.77 | — | — | |
| SCHEMBL14490228 | 0.75 | — | — | |
| SCHEMBL13559987 | 0.74 | — | — | |
| SCHEMBL11890206 | 0.74 | — | — | |
| SCHEMBL22756781 | 0.74 | — | — | |
| SCHEMBL7915843 | 0.74 | — | — | |
| SCHEMBL25065816 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023205595-A2 | EGFR INHIBITORS IN CANCER TREATMENT | CELYN THERAPEUTICS, INC (US) | 2023-10-26 | — | — | WO | disclosed |
| US-5495017-A | Preparation of substantially dust-free tetrahydro-3,5-dimethyl-1,3,5-thiadiazine-2-thione granules | BASF AKTIENGESELLSCHAFT (DE) | 1996-02-27 | — | — | US | disclosed |