⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9580059 | 0.81 | ALOX15 (0.55) | — | |
| SCHEMBL9580063 | 0.81 | ALOX15 (0.55) | — | |
| SCHEMBL24200063 | 0.80 | — | — | |
| SCHEMBL26657832 | 0.80 | MGAM (0.50) | — | |
| SCHEMBL9448983 | 0.80 | MGAM (0.50) | — | |
| SCHEMBL9448987 | 0.80 | MGAM (0.50) | — | |
| SCHEMBL13420641 | 0.80 | KMT2A (0.57) | — | |
| SCHEMBL17182999 | 0.80 | KMT2A (0.57) | — | |
| SCHEMBL17182998 | 0.80 | KMT2A (0.57) | — | |
| SCHEMBL8415453 | 0.78 | GAA (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-5274145-A | α-hydroxy-acids, preparation process and the use thereof | RHONE-POULENC RORER S.A. (FR) | 1993-12-28 | — | — | US | disclosed |
| US-4693849-A | Preparation of unsaturated compounds | RHONE-POULENC SANTE (FR) | 1987-09-15 | — | — | US | disclosed |
| US-4615838-A | Unsaturated compounds and their preparation | RHONE-POULENC SANTE (FR) | 1986-10-07 | — | — | US | disclosed |
| US-4585594-A | CARBONYLATION OF ALLYL ALCOHOL DERIVATIVE | BASF AKTIENGESELLSCHAFT (DE) | 1986-04-29 | — | — | US | disclosed |
| US-4562282-A | CHEMICAL INTERMEDIATES FOR PESTICIDES | ROUSSEL UCLAF (FR) | 1985-12-31 | — | — | US | disclosed |
| US-4421928-A | 4-Methyl-3-formyl-pentanoic acid esters | ROUSSEL UCLAF (FR) | 1983-12-20 | — | — | US | disclosed |