⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27560191 | 0.98 | NOS1 (0.48) | — | |
| SCHEMBL17481195 | 0.76 | — | — | |
| SCHEMBL5150808 | 0.76 | — | — | |
| SCHEMBL5537146 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL11020657 | 0.73 | — | — | |
| SCHEMBL4292009 | 0.73 | — | — | |
| SCHEMBL31016936 | 0.73 | — | — | |
| SCHEMBL22865329 | 0.72 | NOS1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL11017206 | 0.71 | MYC (0.33) | — | |
| SCHEMBL22865330 | 0.70 | NOS1 (0.42) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102791714-B | N-(imidazopyrimidin-7-yl)-heteroarylamide derivatives and their use as PDE10A inhibitors | HOFFMANN LA ROCHE | 2015-03-25 | — | — | CN | disclosed |
| CN-101889010-B | Isoxazolo-pyridine derivatives | HOFFMANN LA ROCHE | 2012-12-05 | — | — | CN | disclosed |
| CN-102791714-A | N-(imidazopyrimidin-7-yl)-heteroarylamide derivatives and their use as PDE10A inhibitors | HOFFMANN LA ROCHE | 2012-11-21 | — | — | CN | disclosed |
| CN-101889010-A | Isoxazolo-pyridine derivatives | HOFFMANN LA ROCHE | 2010-11-17 | — | — | CN | disclosed |
| CN-1364164-A | Method for producing 4-ayano-2-aminomethylthiazol | BASF AG (DE) | 2002-08-14 | — | — | CN | disclosed |
| CN-1364164-A | Method for producing 4-ayano-2-aminomethylthiazol | BASF AG (DE) | 2002-08-14 | — | — | CN | disclosed |
| CN-1364163-A | Method for producing 2-aminomethyl-4-cyano-thiazol | BASF AG (DE) | 2002-08-14 | — | — | CN | disclosed |
| EP-1196402-A1 | METHOD FOR PRODUCING 4-CYANO-2-AMINOMETHYLTHIAZOL | BASF AKTIENGESELLSCHAFT (DE) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001007426-A1 | METHOD FOR PRODUCING 4-CYANO-2-AMINOMETHYLTHIAZOL | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-01 | — | — | WO | disclosed |