⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7456636 | 0.81 | LPL (0.33) | — | |
| SCHEMBL8060728 | 0.74 | — | — | |
| SCHEMBL8445950 | 0.69 | — | — | |
| SCHEMBL8103710 | 0.66 | HSD17B10 (0.33) | — | |
| SCHEMBL8099970 | 0.65 | KDM4E (0.32) | — | |
| SCHEMBL7191487 | 0.59 | LPL (0.46) | — | |
| SCHEMBL12317550 | 0.58 | ADORA2A (0.33) | — | |
| SCHEMBL7460980 | 0.57 | CHRM2 (0.34) | — | |
| SCHEMBL1016530 | 0.55 | ALDH1A1 (0.55) | — | |
| SCHEMBL627607 | 0.55 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6132475-A | FOR OXIDATION DYEING OF KERATIN FIBERS; INCLUDES COUPLER AND DEVELOPER, IN WHICH THE DEVELOPER IS A SUBSTITUTED 2-(FURYL, THIENYL, PYRROLYL, OR SELENOPHENE) P-DIAMINOBENZENE DERIVATIVE OF GIVEN FORMULA; COLORFASTNESS, WASHFASTNESS | WELLA AKTIENGESELLSCHAFT (DE) | 2000-10-17 | — | — | US | disclosed |