⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9306931 | 0.91 | GAA (0.32) | — | |
| SCHEMBL10890658 | 0.80 | LMNA (0.31) | — | |
| SCHEMBL10891394 | 0.73 | PRKCZ (0.31) | — | |
| SCHEMBL9305726 | 0.72 | — | — | |
| SCHEMBL9305087 | 0.71 | MAPT (0.46) | — | |
| Methylamine SCHEMBL10867851 | 0.69 | NPC1 (0.39) | — | |
| SCHEMBL9304453 | 0.69 | — | — | |
| SCHEMBL11017236 | 0.69 | — | — | |
| SCHEMBL8973078 | 0.68 | IKBKE (0.32) | — | |
| SCHEMBL9306229 | 0.68 | DAGLA (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| US-5152929-A | Corrosion inhibitors for water systems | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| US-4612049-A | BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID | CIBA-GEIGY CORPORATION (US) | 1986-09-16 | — | — | US | disclosed |