SCHEMBL8194397

SCHEMBL8194397

COC(C)c1cc(-c2cc(C(C)OC)c(C=O)[nH]2)[nH]c1C=O

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL6139414 0.70
SCHEMBL9766805 0.65 GRIA1 (0.38)
SCHEMBL14237001 0.63 LMNA (0.48)
SCHEMBL6090233 0.63 CHEK1 (0.36)
SCHEMBL8194399 0.62 HCAR2 (0.32)
SCHEMBL9766756 0.61 GRIN2D (0.37)
SCHEMBL15853902 0.59 APLNR (0.33)
SCHEMBL3878366 0.59 ALDH1A1 (0.40)
SCHEMBL31280382 0.59 AKR1B1 (0.32)
SCHEMBL8194395 0.58 PTPN1 (0.33)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591355-B1 PORPHYCENE COMPOUNDS FOR PHOTODYNAMIC THERAPY CYTOPHARM INC (US) 2000-03-08 EP disclosed
US-5409900-A Treatment of cancer tumors, psoriasis; purification of blood CYTOPHARM, INC. (US) 1995-04-25 US disclosed
US-5262401-A Porphyrins as antitumor agents and psoriasis treatment CYTOPHARM, INC. (US) 1993-11-16 US disclosed
US-5179120-A Antitumor agents or psoriasis CYTOPHARM, INC. (US) 1993-01-12 US disclosed