⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9196900 | 0.88 | TDP1 (0.33) | — | |
| SCHEMBL9070532 | 0.84 | — | — | |
| SCHEMBL952622 | 0.84 | — | — | |
| SCHEMBL12050684 | 0.81 | KDM4E (0.35) | — | |
| SCHEMBL1966242 | 0.78 | MAPK1 (0.31) | — | |
| SCHEMBL28633894 | 0.78 | KDM6B (0.47) | — | |
| SCHEMBL8491984 | 0.77 | — | — | |
| SCHEMBL4890544 | 0.76 | — | — | |
| SCHEMBL17275471 | 0.75 | NOS2 (0.53) | — | |
| SCHEMBL10982226 | 0.75 | EGFR (0.34) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0444276-A2 | 1,2,4-Triazolyl-propanol derivatives | BAYER AG (DE) | 1991-09-04 | — | — | EP | claimed |
| EP-0338344-A2 | Substituted triazolyl methyl carbinoles | BAYER AG (DE) | 1989-10-25 | — | — | EP | claimed |
| JP-1311068-A | — | — | None | — | — | JP | disclosed |
| US-5252582-A | Plant protection and preservation of materials | BAYER AKTIENGESELLSCHAFT (DE) | 1993-10-12 | — | — | US | disclosed |
| EP-0556671-A2 | Triazolopyridine derivatives, process for their preparation and their use as microbicides | BAYER AG (DE) | 1993-08-25 | — | — | EP | disclosed |
| US-5162355-A | FUNGICIDAL 1,2,4-TRIAZOLYL-PROPANOLS | BAYER AKTIENGESELLSCHAFT (DE) | 1992-11-10 | — | — | US | disclosed |
| EP-0444276-A2 | 1,2,4-Triazolyl-propanol derivatives | BAYER AG (DE) | 1991-09-04 | — | — | EP | disclosed |
| JP-H01311068-A | SUBSTITUTED TRIAZOLYL METHYL CARBINOL | BAYER AG | 1989-12-15 | — | — | JP | disclosed |
| EP-0338344-A2 | Substituted triazolyl methyl carbinoles | BAYER AG (DE) | 1989-10-25 | — | — | EP | disclosed |
| US-4523019-A | INTERMEDIATE FOR FUNGICIDE AND PLANT GROWTH REGULATOR | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-06-11 | — | — | US | disclosed |