⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8108521 | 0.62 | PSEN1 (0.30) | — | |
| SCHEMBL21344344 | 0.59 | PTGS1 (0.38) | — | |
| SCHEMBL8968193 | 0.59 | — | — | |
| SCHEMBL10285357 | 0.58 | CA1 (0.36) | — | |
| SCHEMBL8881555 | 0.56 | POLB (0.40) | — | |
| SCHEMBL28281196 | 0.55 | — | — | |
| SCHEMBL14961837 | 0.55 | — | — | |
| SCHEMBL14048395 | 0.54 | — | — | |
| SCHEMBL9061537 | 0.54 | — | — | |
| SCHEMBL7594063 | 0.54 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1013652-B1 | Process for preparation of substituted chromanderivatives | BASF AG (DE) | 2002-08-14 | — | — | EP | disclosed |
| US-6136986-A | REACTING SUBSTITUTED ACROLEIN COMPOUND WITH ACRYLATES, ACROLEINS, ACROLEIN ACETALS, ALLYL ALCOHOLS OR ALLYL ETHERS TO GIVE 3,4-DIHYDRO-2H-PYRANS, REACTING WITH ACID, FOLLOWED BY REACTING WITH SUBSTITUETED VINYL KETONE, DEHYDROGENATION | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-24 | — | — | US | disclosed |
| EP-1013652-A2 | Process for preparation of substituted chromanderivatives | BASF AKTIENGESELLSCHAFT (DE) | 2000-06-28 | — | — | EP | disclosed |