SCHEMBL5599199

SCHEMBL5599199

c1cc(C2(c3ccc(OCC4CO4)cc3)C3CC4CCCC4C2C3)ccc1OCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ TP53 P04637 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ GLA P06280 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL5599194 0.81 ALDH1A1 (0.45) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL1673411 0.75 TDP1 (0.51) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL9176540 0.75 ALDH1A1 (0.44) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL29411927 0.71 TDP1 (0.68) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL21094081 0.69 TDP1 (0.79) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL20677146 0.69 TDP1 (0.79) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL50264 0.69 TDP1 (0.79) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL15934082 0.68 TDP1 (0.53) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL17902752 0.68 TDP1 (0.66) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL16527790 0.68 TDP1 (0.66) TDP1ALDH1A1TP53TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135607-A1 TDI prepolymers with improved processing characteristics ROSTHAUSER JAMES W 2007-06-14 — — US disclosed
EP-0915110-B1 Reactivity improvement of urethane prepolymers of allophanate-modified diphenylmethane diisocyanates BAYER AG (US) 2004-12-29 — — EP disclosed
EP-1122271-B1 Process for the preparation of polyisocyanate compositions based on MDI with improved freeze stability BAYER AG (US) 2004-03-31 — — EP disclosed
US-6482913-B1 Liquid MDI adducts wtih improved freeze stability BAYER AKTIENGESELLSCHAFT (DE) 2002-11-19 — — US disclosed
EP-1122271-A1 Liquid MDI adducts with improved freeze stability Bayer Corporation (US) 2001-08-08 — — EP disclosed
US-6127463-A ADDING A COMPOUND THAT CONTAINS AN EPOXIDE GROUP TO THE PROCESS AT ANY POINT PRIOR TO QUENCH COOLING THE FORMED POLYISOCYANATES BAYER CORPORATION (US) 2000-10-03 — — US disclosed
EP-0915110-A1 Reactivity improvement of urethane prepolymers of allophanate-modified diphenylmethane diisocyanates Bayer Corporation (US) 1999-05-12 — — EP disclosed
EP-0844276-A1 Reactivity stabilization of polymethylene poly(phenylisocyanates) Bayer Corporation (US) 1998-05-27 — — EP disclosed
EP-0631532-B1 THERMOSETTING BINDER FOR AN ABRASIVE ARTICLE MINNESOTA MINING & MFG (US) 1996-05-22 — — EP disclosed
US-5451446-A Polyepoxides MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-09-19 — — US disclosed
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