⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28039809 | 0.86 | — | — | |
| SCHEMBL334327 | 0.67 | ANPEP (0.33) | — | |
| SCHEMBL333462 | 0.66 | CYP1A2 (0.30) | — | |
| SCHEMBL5318256 | 0.61 | — | — | |
| Urea SCHEMBL1836708 | 0.60 | CYP1A2 (0.42) | — | |
| SCHEMBL19067185 | 0.60 | CYP1A2 (0.50) | — | |
| SCHEMBL15866017 | 0.59 | NAAA (0.58) | — | |
| SCHEMBL983172 | 0.58 | CYP1A2 (0.50) | — | |
| SCHEMBL9188041 | 0.56 | — | — | |
| Urea SCHEMBL1837024 | 0.55 | USP2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105102465-A | Catalytic process for the preparation of thiocarboxylate silane | MOMENTIVE PERFORMANCE MAT INC | 2015-11-25 | — | — | CN | claimed |
| CN-105452261-A | Continuous process for the preparation of thiocarboxylate silane | MOMENTIVE PERFORMANCE MAT INC | 2016-03-30 | — | — | CN | disclosed |
| CN-105102465-A | Catalytic process for the preparation of thiocarboxylate silane | MOMENTIVE PERFORMANCE MAT INC | 2015-11-25 | — | — | CN | disclosed |
| CN-104995248-A | Rubber composition comprising metal carboxylate and method for preparing same | BRIDGESTONE CORP | 2015-10-21 | — | — | CN | disclosed |